SCHEMBL16879528

SCHEMBL16879528

COC(C)Cc1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.71
ACVR1B P36896 15/20 0.63
ACVRL1 P37023 13/20 0.63
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
SCHEMBL16879272 0.93 TGFBR1 (0.75) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16879565 0.89 TGFBR1 (0.82) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16879606 0.84 TGFBR1 (1.00) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16879403 0.83 TGFBR1 (0.78) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16888452 0.82 TGFBR1 (0.82) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16879609 0.82 TGFBR1 (0.76) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16879401 0.80 TGFBR1 (0.75) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16879258 0.80 TGFBR1 (0.75) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16879626 0.79 TGFBR1 (0.76) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL16879512 0.78 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089971-A1 COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-11-09 EP disclosed
WO-2015103355-A1 COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-09 WO disclosed