SCHEMBL2598388

SCHEMBL2598388

CNC(=O)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 1.00
CYP3A4 P08684 2/20 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
SCHEMBL2598309 0.92 TGFBR1 (1.00) TGFBR1
SCHEMBL2598311 0.91 TGFBR1 (0.84) TGFBR1CYP3A4
SCHEMBL2598318 0.90 TGFBR1 (0.85) TGFBR1CYP3A4
SCHEMBL2598320 0.90 TGFBR1 (0.82) TGFBR1CYP3A4
SCHEMBL2598510 0.89 TGFBR1 (0.81) TGFBR1CYP3A4
SCHEMBL2598330 0.89 TGFBR1 (0.80) TGFBR1CYP3A4
SCHEMBL2598444 0.88 TGFBR1 (0.79) TGFBR1CYP3A4
SCHEMBL2598350 0.87 TGFBR1 (1.00) TGFBR1CYP3A4
SCHEMBL2598360 0.85 TGFBR1 (0.73) TGFBR1CYP3A4
SCHEMBL2598500 0.83 TGFBR1 (0.71) 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 5 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
WO-2011146287-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 WO disclosed