SCHEMBL2598336

SCHEMBL2598336

Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3cnn(C4CCOCC4)c23)ccn1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.63
CYP3A4 P08684 2/20 0.47
BMPR1A P36894 1/20 0.40
ACVR1B P36896 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40

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
SCHEMBL2598598 0.86 TGFBR1 (0.81) TGFBR1CYP3A4
SCHEMBL2598310 0.81 TGFBR1 (0.88) TGFBR1CYP3A4
SCHEMBL2598297 0.79 TGFBR1 (0.62) TGFBR1
SCHEMBL2598264 0.79 TGFBR1 (0.69) TGFBR1CYP3A4
SCHEMBL2598401 0.78 TGFBR1 (0.62) TGFBR1CYP3A4
SCHEMBL2598412 0.77 TGFBR1 (1.00) TGFBR1CYP3A4
SCHEMBL2598330 0.77 TGFBR1 (0.80) TGFBR1CYP3A4
SCHEMBL2598460 0.77 TGFBR1 (0.68) TGFBR1CYP3A4
SCHEMBL2598411 0.76 TGFBR1 (0.51) TGFBR1
SCHEMBL2596903 0.76 TGFBR1 (0.81) 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