SCHEMBL2214931

SCHEMBL2214931

Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)N2CCCCC2)c1N.Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)NC2CCCCC2)c1N

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.54
MAPK11 Q15759 4/20 0.54
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
BMPR1B O00238 3/20 0.48
BMPR1A P36894 3/20 0.48
TGFBR1 P36897 3/20 0.48
ACVRL1 P37023 3/20 0.48
ACVR1 Q04771 3/20 0.48
KIT P10721 1/20 0.47
CNR2 P34972 2/20 0.46
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL1417030 0.96 MAPK14 (0.55) MAPK14MAPK11CYP3A4CYP2C9BMPR1B
SCHEMBL1386646 0.93 MAPK14 (0.61) MAPK14MAPK11CYP3A4CYP2C9KIT
SCHEMBL1416913 0.92 MAPK14 (0.62) MAPK14MAPK11CYP3A4CYP2C9KIT
SCHEMBL1386388 0.89 MAPK14 (0.66) MAPK14MAPK11CYP3A4CYP2C9KIT
SCHEMBL1384571 0.85 MAPK14 (0.61) MAPK14MAPK11CYP3A4CYP2C9MAPK13
SCHEMBL1382843 0.84 MAPK14 (0.56) MAPK14MAPK11CYP3A4CYP2C9KIT
SCHEMBL12515027 0.84 MAPK14 (0.52) MAPK14MAPK11CYP3A4CYP2C9BMPR1B
SCHEMBL14823447 0.84 MAPK14 (0.62) MAPK14MAPK11CYP3A4CYP2C9MAPK13
SCHEMBL1383587 0.84 MAPK14 (0.56) MAPK14MAPK11CYP3A4CYP2C9KIT
SCHEMBL1382334 0.83 MAPK14 (0.58) MAPK14MAPK11CYP3A4CYP2C9KIT

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
EP-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 EP claimed