SCHEMBL2216609

SCHEMBL2216609

Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(OC(=O)NCCN2CCCC2)c1N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.46
KIT P10721 2/20 0.46
MAPK11 Q15759 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
SSTR5 P35346 1/20 0.42
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
LCK P06239 1/20 0.40
KDR P35968 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL2217244 0.93 MAPK14 (0.49) MAPK14KITMAPK11CYP2C9SSTR5
SCHEMBL2213705 0.87 MAPK14 (0.52) MAPK14KITMAPK11CYP3A4CYP2C9
SCHEMBL1417393 0.86 MAPK14 (0.54) MAPK14KITMAPK11CYP3A4CYP2C9
SCHEMBL2215786 0.86 CYP3A4 (0.51) MAPK14KITMAPK11CYP3A4CYP2C9
SCHEMBL2216452 0.86 MAPK14 (0.51) MAPK14KITMAPK11CYP3A4CYP2C9
SCHEMBL2215757 0.85 MAPK14 (0.46) MAPK14MAPK11CYP3A4CYP2C9SSTR5
SCHEMBL2216809 0.85 CYP3A4 (0.52) MAPK14KITMAPK11CYP3A4CYP2C9
SCHEMBL2214347 0.84 MAPK14 (0.52) MAPK14MAPK11
SCHEMBL2215591 0.83 MAPK14 (0.48) MAPK14MAPK11CYP3A4CYP2C9TP53
SCHEMBL2216554 0.83 MAPK14 (0.47) MAPK14KITMAPK11LCKKDR

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