SCHEMBL2598387

SCHEMBL2598387

Cc1ccc(F)c(-c2cc(Nc3ccnc4cn[nH]c34)ccn2)n1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.69
CYP3A4 P08684 3/20 0.52
CYP2C8 P10632 3/20 0.52
SLC2A1 P11166 1/20 0.39

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
SCHEMBL2598362 0.86 TGFBR1 (0.70) TGFBR1CYP3A4CYP2C8
SCHEMBL2598458 0.82 TGFBR1 (1.00) TGFBR1CYP3A4CYP2C8
SCHEMBL2596786 0.80 TGFBR1 (0.63) TGFBR1CYP3A4CYP2C8
SCHEMBL2598342 0.79 TGFBR1 (1.00) TGFBR1CYP3A4CYP2C8
SCHEMBL2598344 0.78 TGFBR1 (1.00) TGFBR1CYP3A4CYP2C8
SCHEMBL2598410 0.78 TGFBR1 (0.58) TGFBR1CYP3A4CYP2C8
SCHEMBL2596900 0.77 TGFBR1 (0.59) TGFBR1CYP3A4CYP2C8
SCHEMBL2598409 0.76 TGFBR1 (0.76) TGFBR1CYP3A4CYP2C8SLC2A1
SCHEMBL2598375 0.76 TGFBR1 (0.55) TGFBR1CYP3A4CYP2C8
SCHEMBL2598346 0.76 TGFBR1 (0.55) TGFBR1CYP3A4CYP2C8

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