SCHEMBL7529385

SCHEMBL7529385

CSc1nccc(-c2cc(C3CCN(C(=O)OCc4ccccc4)CC3)nnc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.48
MAPK12 P53778 9/20 0.48
MAPK11 Q15759 9/20 0.48
MAPK14 Q16539 9/20 0.48
TRPC3 Q13507 3/20 0.42
TRPC7 Q9HCX4 3/20 0.42
F2R P25116 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
CETP P11597 1/20 0.40
MAPK9 P45984 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
FAAH O00519 1/20 0.39
GRIN2B Q13224 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL7468591 0.94 TRPC3 (0.42) MAPK13MAPK12MAPK11MAPK14TRPC3
SCHEMBL7556151 0.88 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14TRPC3
SCHEMBL5753879 0.88 TRPC3 (0.42) MAPK13MAPK12MAPK11MAPK14TRPC3
SCHEMBL6173126 0.86 MAPK14 (0.41) MAPK13MAPK12MAPK11MAPK14TRPC3
SCHEMBL6170576 0.86 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14TRPC3
SCHEMBL6172304 0.86 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14TRPC3
SCHEMBL7469105 0.85 TRPC3 (0.44) MAPK13MAPK12MAPK11MAPK14TRPC3
SCHEMBL6175245 0.84 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14TRPC3
SCHEMBL7463352 0.84 GRIN2B (0.46) MAPK13MAPK12MAPK11MAPK14TRPC3
SCHEMBL7679585 0.83 GRIN2B (0.46) TRPC3TRPC7F2RTRPV4CETP

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-1131314-A4 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2002-05-02 EP disclosed
US-6350744-B1 PYRMIDINE OR PYRIDINE DERIVATIVES; ANTIARTHRITIC AND ANTIINFLAMMATORY AGENTS; CACHEXIA TREATMENT; INTERLEUKIN AND TUMOR NECROSIS FACTOR INHIBITORS MERCK & CO., INC. 2002-02-26 US disclosed
EP-1131314-A1 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 2001-09-12 EP disclosed
WO-2000031065-A1 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 2000-06-02 WO disclosed