SCHEMBL2596838

SCHEMBL2596838

C[C@H](O)Cn1cc2ncc(F)c(Cl)c2n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.44
CSNK2A1 P68400 3/20 0.30
AURKA O14965 1/20 0.30
JAK1 P23458 1/20 0.30
AURKB Q96GD4 1/20 0.30

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
SCHEMBL2596743 0.81 TGFBR1 (0.39) TGFBR1
SCHEMBL204268 0.79 TGFBR1 (0.40) TGFBR1CSNK2A1AURKAJAK1AURKB
SCHEMBL2596741 0.78 FFAR1 (0.38) TGFBR1AURKAJAK1AURKB
SCHEMBL203826 0.73 TGFBR1 (0.40) TGFBR1CSNK2A1
SCHEMBL2596981 0.72 TGFBR1 (0.36) TGFBR1
SCHEMBL2596820 0.72 L3MBTL1 (0.30)
SCHEMBL2598341 0.70 TGFBR1 (0.42) TGFBR1
SCHEMBL2598339 0.70 TGFBR1 (0.42) TGFBR1
SCHEMBL22118795 0.66 CSNK2A1 (0.33) TGFBR1CSNK2A1
SCHEMBL22245124 0.66 CSNK2A1 (0.33) TGFBR1CSNK2A1

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-2011146287-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 WO disclosed