SCHEMBL6946847

SCHEMBL6946847

NC(=O)CNc1nc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccccc2)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.54
DPP4 P27487 1/20 0.49
ADORA3 P0DMS8 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.41
PRKCI P41743 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
F2 P00734 1/20 0.38
TPH1 P17752 2/20 0.38
DHODH Q02127 1/20 0.38
CFTR P13569 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
RORC P51449 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7228763 0.86 DPP4 (0.44) PDE10ADPP4ADORA3ABCG2STAT3
SCHEMBL7228648 0.82 KCNH2 (0.42) PDE10ADPP4ADORA3ABCG2STAT3
SCHEMBL27467049 0.79 ADORA3 (0.45) DPP4ADORA3ABCG2STAT3STAT1
SCHEMBL7229917 0.76 ADORA3 (0.58) ADORA3KDM4EALDH1A1
SCHEMBL7229190 0.74 PDE10A (0.42) PDE10APRKCIDHODHKDM4EALDH1A1
SCHEMBL7228141 0.69 TRPV3 (0.46) ADORA3ALDH1A1
SCHEMBL29712526 0.68 KIF11 (0.71) DPP4ABCG2ALDH1A1
SCHEMBL28465080 0.68 KIF11 (0.71) DPP4ABCG2ALDH1A1
SCHEMBL2468818 0.66 PLAU (0.49) DPP4PTGDR2STAT3STAT1DHODH
SCHEMBL3367635 0.66 DPP4 (1.00) DPP4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620817-B1 Antiinflammatory, antiarthritic agents; autoimmune and rheumatic diseases DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2003-09-16 US claimed
EP-1236721-A1 5-CHLORO-6-PHENYL-2-(4-TRIFLUOROMETHYLPHENYL)-4-PYRIMIDINYLAMINO]ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATE OF THESE COMPOUNDS Dainippon Pharmaceutical Co., Ltd. (JP) 2002-09-04 EP claimed
CN-1170823-C [ 5-chloro-6-phenyl-2- (4-trifluoromethylphenyl) -4-pyrimidinylamino ] acetamide derivatives, process for preparing the same, pharmaceutical compositions containing the same and intermediates for preparing the same 大日本制药株式会社 2004-10-13 CN disclosed
CN-1170823-C [ 5-chloro-6-phenyl-2- (4-trifluoromethylphenyl) -4-pyrimidinylamino ] acetamide derivatives, process for preparing the same, pharmaceutical compositions containing the same and intermediates for preparing the same 大日本制药株式会社 2004-10-13 CN disclosed
US-6620817-B1 Antiinflammatory, antiarthritic agents; autoimmune and rheumatic diseases DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2003-09-16 US disclosed
US-6620817-B1 Antiinflammatory, antiarthritic agents; autoimmune and rheumatic diseases DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2003-09-16 US disclosed
US-6620817-B1 Antiinflammatory, antiarthritic agents; autoimmune and rheumatic diseases DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2003-09-16 US disclosed
EP-1236721-A4 5-CHLORO-6-PHENYL-2-(4-TRIFLUOROMETHYLPHENYL)-4-PYRIMIDINYLAMINO]ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATE OF THESE COMPOUNDS DAINIPPON PHARMACEUTICAL CO (JP) 2003-02-05 EP disclosed
CN-1390207-A [ 5-chloro-6-phenyl-2- (4-trifluoromethylphenyl) -4-pyrimidinylamino ] acetamide derivatives, processes for preparing the same, pharmaceutical compositions containing the same and intermediates for these compounds DAINIPPON PHARMACEUTICAL CO (JP) 2003-01-08 CN disclosed
CN-1390207-A [ 5-chloro-6-phenyl-2- (4-trifluoromethylphenyl) -4-pyrimidinylamino ] acetamide derivatives, processes for preparing the same, pharmaceutical compositions containing the same and intermediates for these compounds DAINIPPON PHARMACEUTICAL CO (JP) 2003-01-08 CN disclosed
EP-1236721-A1 5-CHLORO-6-PHENYL-2-(4-TRIFLUOROMETHYLPHENYL)-4-PYRIMIDINYLAMINO]ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATE OF THESE COMPOUNDS Dainippon Pharmaceutical Co., Ltd. (JP) 2002-09-04 EP disclosed
EP-1236721-A1 5-CHLORO-6-PHENYL-2-(4-TRIFLUOROMETHYLPHENYL)-4-PYRIMIDINYLAMINO]ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATE OF THESE COMPOUNDS Dainippon Pharmaceutical Co., Ltd. (JP) 2002-09-04 EP disclosed
WO-2001036392-A1 [5-CHLORO-6-PHENYL-2-(4-TRIFLUOROMETHYLPHENYL)-4-PYRIMIDINYLAMINO]ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATE OF THESE COMPOUNDS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed
WO-2001036392-A1 [5-CHLORO-6-PHENYL-2-(4-TRIFLUOROMETHYLPHENYL)-4-PYRIMIDINYLAMINO]ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATE OF THESE COMPOUNDS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed