SCHEMBL18005483

SCHEMBL18005483

Cc1ccc(-c2ccc3ncc(C(N)=O)n3c2)c(-c2cccc(C(F)F)n2)n1.Cc1cccc(-c2nc(C)ccc2-c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(-c2nc(C)ccc2-c2ccc3ncc(C#N)n3c2)n1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.83
TGFBR2 P37173 2/20 0.58

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
SCHEMBL29833448 0.91 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL18005219 0.91 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL18005384 0.90 TGFBR1 (0.78) TGFBR1TGFBR2
SCHEMBL18030585 0.85 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL29833439 0.83 TGFBR1 (1.00) TGFBR1
SCHEMBL18005368 0.83 TGFBR1 (1.00) TGFBR1
SCHEMBL29833418 0.79 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL18005149 0.79 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL18069420 0.79 TGFBR1 (0.70) TGFBR1
SCHEMBL18005352 0.79 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