SCHEMBL20145592

SCHEMBL20145592

Nc1ncc(-c2cn[nH]c2)cc1-c1ccc(C(=O)NC2CC2)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 12/20 0.64
ROCK2 O75116 1/20 0.50
FYN P06241 1/20 0.49
ALOX5AP P20292 2/20 0.47
FEN1 P39748 2/20 0.47
MAP4K4 O95819 1/20 0.47
LRRK2 Q5S007 1/20 0.47
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
IKBKE Q14164 1/20 0.45
TBK1 Q9UHD2 1/20 0.45

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
SCHEMBL20145647 0.81 MAPK1 (0.49) MAPK1ALOX5APFEN1MAP4K4BMPR1B
SCHEMBL16679074 0.78 MAPK1 (1.00) MAPK1
SCHEMBL16679072 0.78 MAPK1 (1.00) MAPK1
SCHEMBL19053705 0.74 MAPK1 (0.66) MAPK1
SCHEMBL19947436 0.73 RIPK2 (0.54)
SCHEMBL19947423 0.73 MAPK14 (0.55) ROCK2
SCHEMBL19029542 0.71 CD38 (0.50) ROCK2
SCHEMBL31377858 0.70 ABL1 (0.48) ROCK2
SCHEMBL12078314 0.70 CHEK2 (0.67) FYNMAP4K4LRRK2
SCHEMBL31377884 0.70 ROCK2 (0.51) ROCK2

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