SCHEMBL18005384

SCHEMBL18005384

Cc1cccc(-c2ncc(F)cc2-c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(-c2ncc(F)cc2-c2ccc3ncc(C(N)=O)n3c2)n1.N#Cc1cnc2ccc(-c3cc(F)cnc3-c3cccc(C(F)F)n3)cn12

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.78
TGFBR2 P37173 4/20 0.75

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
SCHEMBL18005483 0.90 TGFBR1 (0.83) TGFBR1TGFBR2
SCHEMBL29833433 0.89 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL18005139 0.89 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL18005155 0.87 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL29833443 0.87 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL29833455 0.87 TGFBR1 (1.00) TGFBR1
SCHEMBL18005348 0.87 TGFBR1 (1.00) TGFBR1
SCHEMBL18005372 0.85 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL29833450 0.85 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL18005352 0.82 TGFBR1 (0.88) TGFBR1TGFBR2

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-3259264-A1 GDF-8 INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2017-12-27 EP claimed
WO-2016133838-A1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2016-08-25 WO claimed