SCHEMBL22270342

SCHEMBL22270342

C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncncc1C(=O)NC[SiH2][C@H](C)O

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.81
ACVR1B P36896 19/20 0.81
ACVRL1 P37023 13/20 0.81
ACVR1 Q04771 3/20 0.81

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
SCHEMBL16888494 0.90 TGFBR1 (1.00) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL16879640 0.90 TGFBR1 (1.00) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL16879186 0.82 TGFBR1 (0.72) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL16879264 0.79 TGFBR1 (1.00) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL16879467 0.79 TGFBR1 (1.00) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL16879744 0.78 TGFBR1 (1.00) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL16879742 0.78 TGFBR1 (1.00) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL18219798 0.76 TGFBR1 (0.79) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL20397410 0.76 TGFBR1 (0.79) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL16888478 0.76 TGFBR1 (0.76) TGFBR1ACVR1BACVRL1ACVR1

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
EP-3089971-B1 COMPOUNDS AND METHODS OF USE MEDIVATION TECH LLC (US) 2020-07-29 EP disclosed