SCHEMBL8348222

SCHEMBL8348222

CNCCNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1C(C)C

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.64
ACVR1B P36896 14/20 0.64
ACVRL1 P37023 13/20 0.64
ACVR1 Q04771 2/20 0.57
BMPR1A P36894 1/20 0.57

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
SCHEMBL8348958 0.92 TGFBR1 (0.63) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL5954608 0.91 TGFBR1 (0.62) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL5955144 0.90 TGFBR1 (0.60) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16110716 0.89 TGFBR1 (0.73) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL5955195 0.89 TGFBR1 (0.62) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16134302 0.89 TGFBR1 (0.73) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL5955425 0.88 TGFBR1 (0.58) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL5955562 0.88 TGFBR1 (0.58) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL8346119 0.88 TGFBR1 (0.57) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL5955137 0.87 TGFBR1 (0.58) 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