SCHEMBL14539722

SCHEMBL14539722

C=C1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N3CCCC3)cn(N)c2cc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK11 Q15759 2/20 0.40
▸ MAPK14 Q16539 2/20 0.40
▸ MAPK13 O15264 1/20 0.40
▸ MAPK12 P53778 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ MAPKAPK2 P49137 1/20 0.40
▸ ACTR2 P61160 1/20 0.40
▸ CCR1 P32246 3/20 0.32
▸ CCR5 P51681 3/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ ADRB2 P07550 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALOX12 P18054 1/20 0.30

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 0.92 MAPK14 (0.49) MAPK11MAPK14MAPK13MAPK12NQO2
SCHEMBL14539721 0.91 MAPK14 (0.49) MAPK11MAPK14MAPK13MAPK12NQO2
SCHEMBL4505052 0.88 MAPK14 (0.53) MAPK11MAPK14MAPK13MAPK12NQO2
SCHEMBL14539786 0.82 MAPK14 (0.45) MAPK11MAPK14MAPK13MAPK12NQO2
SCHEMBL13955063 0.80 MAPK14 (0.64) MAPK11MAPK14MAPK13MAPK12NQO2
SCHEMBL4488618 0.80 MAPK14 (0.64) MAPK11MAPK14MAPK13MAPK12NQO2
SCHEMBL4514087 0.80 MAPK14 (0.64) MAPK11MAPK14MAPK13MAPK12NQO2
SCHEMBL4514094 0.80 MAPK14 (0.64) MAPK11MAPK14MAPK13MAPK12NQO2
SCHEMBL4498276 0.78 MAPK14 (0.64) MAPK11MAPK14MAPK13MAPK12NQO2
SCHEMBL14539716 0.78 MAPK14 (0.38) MAPK11MAPK14MAPK13MAPK12NQO2

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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