SCHEMBL8345302

SCHEMBL8345302

C[C@H](O)CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1C1CC1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.75
ACVR1B P36896 16/20 0.75
ACVRL1 P37023 14/20 0.61
ACVR1 Q04771 3/20 0.53
BMPR1A P36894 1/20 0.49

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
SCHEMBL5955569 0.97 TGFBR1 (0.71) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL8348960 0.89 TGFBR1 (0.59) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL5955131 0.89 TGFBR1 (0.59) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL8345663 0.88 TGFBR1 (0.58) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16134302 0.88 TGFBR1 (0.73) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16110716 0.88 TGFBR1 (0.73) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL8346606 0.88 TGFBR1 (0.57) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL8346601 0.87 TGFBR1 (0.56) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL8346561 0.86 TGFBR1 (0.66) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16879455 0.86 TGFBR1 (1.00) TGFBR1ACVR1BACVRL1ACVR1BMPR1A

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