SCHEMBL20145647

SCHEMBL20145647

Nc1ncc(Br)cc1-c1ccc(C(=O)NC2CC2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 16/20 0.49
ALOX5AP P20292 2/20 0.49
FEN1 P39748 2/20 0.49
MAP4K4 O95819 1/20 0.49
BMPR1B O00238 1/20 0.46
BMPR1A P36894 1/20 0.46
TGFBR1 P36897 1/20 0.46
ACVRL1 P37023 1/20 0.46
ACVR1 Q04771 1/20 0.46

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
SCHEMBL16679532 0.82 MAPK1 (0.72) MAPK1
SCHEMBL16679154 0.82 MAPK1 (0.72) MAPK1
SCHEMBL16679138 0.82 MAPK1 (0.72) MAPK1
SCHEMBL20145592 0.81 MAPK1 (0.64) MAPK1ALOX5APFEN1MAP4K4BMPR1B
SCHEMBL16680919 0.81 MAPK1 (0.47) MAPK1ALOX5APFEN1MAP4K4
SCHEMBL16679304 0.79 MAPK1 (0.46) MAPK1
SCHEMBL30964448 0.78 SMYD3 (0.55) MAP4K4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3059096 0.78 SMYD3 (0.55) MAP4K4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL16680448 0.75 MAPK1 (0.75) MAPK1
SCHEMBL16680445 0.75 MAPK1 (0.75) MAPK1

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-3063143-B1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-05-16 EP disclosed