SCHEMBL2598342

SCHEMBL2598342

Fc1ccc(F)c(-c2cc(Nc3ccnc4cn[nH]c34)ccn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 1.00
CYP3A4 P08684 2/20 0.72
CYP2C8 P10632 2/20 0.72
MAP4K4 O95819 1/20 0.52

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
SCHEMBL2598344 0.90 TGFBR1 (1.00) TGFBR1CYP3A4CYP2C8
SCHEMBL2598458 0.89 TGFBR1 (1.00) TGFBR1CYP3A4CYP2C8
SCHEMBL2598294 0.84 TGFBR1 (1.00) TGFBR1CYP3A4CYP2C8
SCHEMBL2598387 0.79 TGFBR1 (0.69) TGFBR1CYP3A4CYP2C8
SCHEMBL2598409 0.77 TGFBR1 (0.76) TGFBR1CYP3A4CYP2C8
SCHEMBL2598363 0.75 TGFBR1 (0.68) TGFBR1CYP3A4CYP2C8
SCHEMBL2598811 0.75 TGFBR1 (0.62) TGFBR1CYP3A4CYP2C8
SCHEMBL2598312 0.74 TGFBR1 (1.00) TGFBR1CYP3A4CYP2C8
SCHEMBL21791926 0.73 TGFBR1 (0.71) TGFBR1CYP3A4CYP2C8
SCHEMBL2598324 0.70 TGFBR1 (1.00) TGFBR1MAP4K4

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