SCHEMBL2598307

SCHEMBL2598307

CCNC(=O)Cn1ncc2nccc(Nc3cc(-c4cc(F)ccc4F)ncc3C)c21

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.73
CYP3A4 P08684 2/20 0.69
CYP2C8 P10632 1/20 0.53

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
SCHEMBL16882087 0.92 TGFBR1 (0.87) TGFBR1CYP3A4CYP2C8
SCHEMBL2598590 0.87 TGFBR1 (0.85) TGFBR1CYP3A4CYP2C8
SCHEMBL2598640 0.86 TGFBR1 (0.82) TGFBR1CYP3A4CYP2C8
SCHEMBL12185677 0.86 TGFBR1 (0.63) TGFBR1CYP3A4CYP2C8
SCHEMBL2596871 0.83 TGFBR1 (0.73) TGFBR1CYP3A4CYP2C8
SCHEMBL2598323 0.83 TGFBR1 (1.00) TGFBR1CYP3A4CYP2C8
SCHEMBL12185583 0.83 TGFBR1 (1.00) TGFBR1CYP3A4CYP2C8
SCHEMBL2598379 0.81 TGFBR1 (1.00) TGFBR1CYP3A4CYP2C8
SCHEMBL2596911 0.80 TGFBR1 (1.00) TGFBR1CYP3A4CYP2C8
SCHEMBL12185657 0.80 TGFBR1 (0.68) TGFBR1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073918-B2 Pyrazolo[4,3-b]pyridine-7-amine inhibitors of ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-07 US disclosed
US-9073918-B2 Pyrazolo[4,3-b]pyridine-7-amine inhibitors of ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-07 US disclosed
WO-2011146287-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 WO disclosed
WO-2011146287-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 WO disclosed