SCHEMBL2598358

SCHEMBL2598358

Cc1cc(Nc2ccnc3cnn(CC(N)=O)c23)cc(-c2cc(Cl)ccc2F)n1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.73
CYP3A4 P08684 2/20 0.73
BMPR1A P36894 1/20 0.42
ACVR1B P36896 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACVR1 Q04771 1/20 0.42

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
SCHEMBL2598322 0.89 TGFBR1 (0.85) TGFBR1CYP3A4
SCHEMBL2598379 0.85 TGFBR1 (1.00) TGFBR1CYP3A4
SCHEMBL2598440 0.83 TGFBR1 (0.71) TGFBR1CYP3A4
SCHEMBL2598510 0.83 TGFBR1 (0.81) TGFBR1CYP3A4
SCHEMBL2598369 0.82 TGFBR1 (0.51) TGFBR1CYP3A4BMPR1AACVR1BACVRL1
SCHEMBL2596865 0.82 TGFBR1 (0.80) TGFBR1CYP3A4BMPR1AACVR1BACVRL1
SCHEMBL12185545 0.82 TGFBR1 (0.73) TGFBR1CYP3A4ACVR1B
SCHEMBL2598408 0.81 TGFBR1 (1.00) TGFBR1CYP3A4
SCHEMBL2598392 0.80 TGFBR1 (0.71) TGFBR1CYP3A4
SCHEMBL2598360 0.80 TGFBR1 (0.73) 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