SCHEMBL6604492

SCHEMBL6604492

CCC(C)NC(=O)n1nc(-c2cc(NC(=O)c3c(Cl)cccc3Cl)ccc2O)cc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 4/20 0.39
▸ TYK2 P29597 7/20 0.37
▸ JAK2 O60674 6/20 0.37
▸ JAK1 P23458 4/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ NAMPT P43490 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35
▸ ANO1 Q5XXA6 1/20 0.35
▸ PTPRC P08575 1/20 0.35

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
SCHEMBL6616391 0.92 TYK2 (0.40) CRACR2ATYK2JAK2JAK1CDK9
SCHEMBL6603569 0.92 TYK2 (0.40) CRACR2ATYK2JAK2JAK1CDK9
SCHEMBL6603775 0.89 TYK2 (0.41) CRACR2ATYK2JAK2JAK1CDK9
SCHEMBL6618662 0.85 KMT2A (0.38) NAMPTMEN1NPC1RAB9AKMT2A
SCHEMBL6617797 0.85 TYK2 (0.42) CRACR2ATYK2JAK2JAK1CDK9
SCHEMBL6618158 0.85 CRACR2A (0.42) CRACR2ATYK2JAK2JAK1CDK9
SCHEMBL6615018 0.85 NPC1 (0.43) MEN1NPC1RAB9AKMT2A
SCHEMBL6605166 0.84 TYK2 (0.43) CRACR2ATYK2JAK2JAK1CDK9
SCHEMBL6615958 0.83 KDM4C (0.49) CRACR2ANAMPTMEN1RAB9AKMT2A
SCHEMBL6616697 0.83 KMT2A (0.44) MEN1NPC1RAB9AKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP disclosed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO disclosed
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