SCHEMBL8345889

SCHEMBL8345889

COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.45
TGFBR1 P36897 2/20 0.43
PRKD3 O94806 1/20 0.43
PRKD1 Q15139 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
MPL P40238 2/20 0.41
ACVR1B P36896 1/20 0.41
ACVRL1 P37023 1/20 0.41
BUB1 O43683 4/20 0.40
CYP3A4 P08684 2/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP2C9 P11712 1/20 0.39
FLT1 P17948 1/20 0.38

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
SCHEMBL8345332 0.86 TGFBR1 (0.59) TGFBR1PRKD3PRKD1PRKD2BUB1
SCHEMBL8346587 0.84 TGFBR1 (0.47) TGFBR1PRKD3PRKD1PRKD2ACVR1B
SCHEMBL8345885 0.83 TGFBR1 (0.45) TGFBR1PRKD3PRKD1PRKD2ACVR1B
SCHEMBL8347168 0.82 TGFBR1 (0.47) TGFBR1PRKD3PRKD1PRKD2ACVR1B
SCHEMBL8347025 0.81 TGFBR1 (0.43) TGFBR1PRKD3PRKD1PRKD2ACVR1B
SCHEMBL8348254 0.81 TGFBR1 (0.43) TGFBR1PRKD3PRKD1PRKD2ACVR1B
SCHEMBL8345672 0.80 TGFBR1 (0.42) TGFBR1PRKD3PRKD1PRKD2ACVR1B
SCHEMBL8348230 0.79 TGFBR1 (0.46) TGFBR1PRKD3PRKD1PRKD2ACVR1B
SCHEMBL8346247 0.78 TGFBR1 (0.59) TGFBR1ACVR1BACVRL1BUB1
SCHEMBL8346301 0.78 TGFBR1 (0.47) 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