SCHEMBL2596778

SCHEMBL2596778

Cc1ccc(F)c(-c2cc(Nc3ccnc4cn(C[C@@H](C)O)nc34)c(C)cn2)n1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.75
CYP3A4 P08684 1/20 0.54
CYP2C8 P10632 1/20 0.54

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
SCHEMBL2596770 1.00 TGFBR1 (0.75) TGFBR1CYP3A4CYP2C8
SCHEMBL2596915 1.00 TGFBR1 (0.75) TGFBR1CYP3A4CYP2C8
SCHEMBL12186001 0.91 TGFBR1 (0.63) TGFBR1CYP3A4CYP2C8
SCHEMBL2596819 0.88 TGFBR1 (0.59) TGFBR1CYP3A4CYP2C8
SCHEMBL2596897 0.88 TGFBR1 (0.59) TGFBR1CYP3A4CYP2C8
SCHEMBL2596901 0.88 TGFBR1 (0.59) TGFBR1CYP3A4CYP2C8
SCHEMBL2596816 0.88 TGFBR1 (0.74) TGFBR1CYP3A4CYP2C8
SCHEMBL2599199 0.88 TGFBR1 (0.73) TGFBR1CYP3A4CYP2C8
SCHEMBL2596780 0.86 TGFBR1 (0.59) TGFBR1CYP3A4CYP2C8
SCHEMBL12186067 0.86 TGFBR1 (0.63) 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
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