SCHEMBL8348254

SCHEMBL8348254

COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.43
ACVR1B P36896 1/20 0.43
ACVRL1 P37023 1/20 0.43
BUB1 O43683 11/20 0.43
PRKD3 O94806 1/20 0.42
PRKD1 Q15139 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
FLT1 P17948 1/20 0.41
EGFR P00533 1/20 0.41
AGPAT2 O15120 1/20 0.40
STK17A Q9UEE5 1/20 0.39
SLC28A1 O00337 1/20 0.39
STK10 O94804 1/20 0.39
HTR1A P08908 1/20 0.39
DDR1 Q08345 1/20 0.39
CDC42BPG Q6DT37 1/20 0.39

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
SCHEMBL8346587 0.91 TGFBR1 (0.47) TGFBR1ACVR1BACVRL1BUB1PRKD3
SCHEMBL8347025 0.90 TGFBR1 (0.43) TGFBR1ACVR1BACVRL1BUB1PRKD3
SCHEMBL8347168 0.89 TGFBR1 (0.47) TGFBR1ACVR1BACVRL1BUB1PRKD3
SCHEMBL8345885 0.88 TGFBR1 (0.45) TGFBR1ACVR1BACVRL1BUB1PRKD3
SCHEMBL8345672 0.86 TGFBR1 (0.42) TGFBR1ACVR1BACVRL1BUB1PRKD3
SCHEMBL8347945 0.85 BUB1 (0.58) TGFBR1ACVR1BACVRL1BUB1
SCHEMBL8348230 0.85 TGFBR1 (0.46) TGFBR1ACVR1BACVRL1BUB1PRKD3
SCHEMBL8346014 0.84 TGFBR1 (0.56) TGFBR1ACVR1BACVRL1BUB1
SCHEMBL8346301 0.84 TGFBR1 (0.47) TGFBR1ACVR1BACVRL1BUB1
SCHEMBL8346247 0.84 TGFBR1 (0.59) TGFBR1ACVR1BACVRL1BUB1

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
WO-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 WO disclosed