SCHEMBL8345664

SCHEMBL8345664

CC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.48
ACVRL1 P37023 10/20 0.43
ACVR1B P36896 9/20 0.43
ACVR1 Q04771 3/20 0.43
BMPR1A P36894 1/20 0.42
PRKD3 O94806 1/20 0.41
PRKD1 Q15139 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
TGFBR2 P37173 1/20 0.39
BUB1 O43683 1/20 0.37

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
SCHEMBL8345867 0.87 TGFBR1 (0.51) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL8344433 0.82 TGFBR1 (0.70) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL8347154 0.82 TGFBR1 (0.70) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL8344324 0.81 TGFBR1 (0.71) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL14223509 0.80 TGFBR1 (0.47) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL21177207 0.79 TGFBR1 (0.52) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL8348250 0.79 BUB1 (0.46) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL5955562 0.78 TGFBR1 (0.58) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL16110716 0.77 TGFBR1 (0.73) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL5955195 0.77 TGFBR1 (0.62) TGFBR1ACVRL1ACVR1BACVR1BMPR1A

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