SCHEMBL7857232

SCHEMBL7857232

[CH2]Cc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.62
MAPK13 O15264 4/20 0.47
MAPK12 P53778 4/20 0.47
MAPK11 Q15759 4/20 0.47
MAPK9 P45984 2/20 0.47
RAF1 P04049 1/20 0.47
GCGR P47871 2/20 0.45
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
FRK P42685 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3B P49841 1/20 0.42
PTK6 Q13882 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL5258501 0.85 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7617137 0.83 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL14519773 0.79 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5258469 0.78 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL14519418 0.78 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL14410950 0.77 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6076585 0.77 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL28757735 0.77 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5248735 0.77 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6179977 0.77 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed