SCHEMBL14539717

SCHEMBL14539717

C=C1CN(Cc2ccc(F)cc2)CCN1C(=O)c1cc2c(C(=O)C(=O)N(C)OC)cn(N)c2cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 10/20 0.45
▸ MAPK11 Q15759 2/20 0.45
▸ MAPK13 O15264 1/20 0.45
▸ MAPK12 P53778 1/20 0.45
▸ NQO2 P16083 1/20 0.45
▸ MAPKAPK2 P49137 1/20 0.45
▸ ACTR2 P61160 1/20 0.45
▸ PTGS2 P35354 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
SCHEMBL5619016 0.85 MAPK14 (0.56) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4503648 0.85 MAPK14 (0.56) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14539716 0.85 MAPK14 (0.38) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14539725 0.81 MAPK14 (0.39) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14539804 0.73 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14539721 0.73 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14539786 0.72 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4504461 0.72 MAPK14 (0.70) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5201395 0.72 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4512542 0.72 MAPK14 (0.83) MAPK14MAPK11MAPK13MAPK12NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 — — US disclosed
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