SCHEMBL14539786

SCHEMBL14539786

C=C1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N3CC[C@@H](OC)C3)cn(N)c2cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 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
▸ CCR1 P32246 5/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ MLNR O43193 3/20 0.34
▸ PARP1 P09874 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ KCNK3 O14649 1/20 0.32

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
SCHEMBL14539804 0.89 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14539721 0.89 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4503247 0.89 MAPK14 (0.58) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14539722 0.82 MAPK11 (0.40) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4488849 0.79 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4495613 0.79 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14539725 0.79 MAPK14 (0.39) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4514087 0.77 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4498276 0.77 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL13955063 0.77 MAPK14 (0.64) 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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