SCHEMBL18456533

SCHEMBL18456533

CC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)I)n3)nc3[nH]cc(C)c23)ccn1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.75
TGFBR2 P37173 10/20 0.75
TGFB2 P61812 1/20 0.48

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
SCHEMBL18045180 0.85 TGFBR1 (1.00) TGFBR1TGFBR2TGFB2
SCHEMBL18554245 0.77 TGFBR1 (0.76) TGFBR1TGFBR2TGFB2
SCHEMBL18456435 0.77 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL18554228 0.77 TGFBR1 (0.71) TGFBR1TGFBR2
SCHEMBL18554301 0.72 TGFBR1 (0.73) TGFBR1TGFBR2TGFB2
SCHEMBL18456577 0.72 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL18456437 0.72 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL18554130 0.72 TGFBR1 (0.66) TGFBR1TGFBR2
SCHEMBL18554210 0.71 TGFBR1 (0.64) TGFBR1TGFBR2
SCHEMBL20421657 0.71 TGFBR1 (0.85) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017019757-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-02 WO disclosed