SCHEMBL8345867

SCHEMBL8345867

Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.51
ACVRL1 P37023 9/20 0.44
ACVR1B P36896 9/20 0.44
ACVR1 Q04771 3/20 0.44
BMPR1A P36894 1/20 0.44
PRKD3 O94806 1/20 0.43
PRKD1 Q15139 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
TGFBR2 P37173 2/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40

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
SCHEMBL8345664 0.87 TGFBR1 (0.48) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL8344445 0.86 TGFBR1 (0.44) TGFBR1ACVRL1ACVR1BACVR1PRKD3
SCHEMBL8344535 0.86 TGFBR1 (0.41) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL8344433 0.85 TGFBR1 (0.70) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL8347168 0.84 TGFBR1 (0.47) TGFBR1ACVRL1ACVR1BPRKD3PRKD1
SCHEMBL8347154 0.84 TGFBR1 (0.70) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL8344324 0.83 TGFBR1 (0.71) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL14223509 0.83 TGFBR1 (0.47) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL8345869 0.82 TGFBR1 (0.46) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL8347398 0.82 TGFBR1 (0.40) TGFBR1ACVRL1ACVR1BACVR1PRKD3

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