SCHEMBL13955063

SCHEMBL13955063

CC1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N3CCCC3)cn(N)c2cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.64
MAPK11 Q15759 2/20 0.64
MAPK13 O15264 1/20 0.64
MAPK12 P53778 1/20 0.64
NQO2 P16083 1/20 0.64
MAPKAPK2 P49137 1/20 0.64
ACTR2 P61160 1/20 0.64
CCR1 P32246 9/20 0.46
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4514094 1.00 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4488618 1.00 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4514087 1.00 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4498276 0.98 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4505052 0.92 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4511472 0.92 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4488849 0.91 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4495613 0.91 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4503016 0.90 MAPK14 (0.51) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4495960 0.90 MAPK14 (0.51) 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-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed