SCHEMBL14539804

SCHEMBL14539804

C=C1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N3CCCC3)cn(N)c2cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 9/20 0.49
▸ MAPK11 Q15759 2/20 0.49
▸ MAPK13 O15264 1/20 0.49
▸ MAPK12 P53778 1/20 0.49
▸ NQO2 P16083 1/20 0.49
▸ MAPKAPK2 P49137 1/20 0.49
▸ ACTR2 P61160 1/20 0.49
▸ CCR1 P32246 6/20 0.35
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ ALOX5 P09917 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
SCHEMBL14539721 0.98 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14539722 0.92 MAPK11 (0.40) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14539786 0.89 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4514094 0.88 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL13955063 0.88 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4488618 0.88 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4514087 0.88 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4498276 0.86 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14539716 0.86 MAPK14 (0.38) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4495960 0.82 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-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 — — US disclosed
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