SCHEMBL29501054

SCHEMBL29501054

Cc1cccc(-n2nc3ncccc3c2-c2ccn3ncc(C(=O)O)c3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 7/20 0.44
▸ IRAK4 Q9NWZ3 11/20 0.42
▸ KDM4E B2RXH2 1/20 0.39
▸ EPHB3 P54753 1/20 0.36

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
SCHEMBL29501050 0.92 TGFBR1 (0.54) TGFBR1IRAK4
SCHEMBL29501083 0.80 TGFBR1 (0.38) TGFBR1IRAK4
SCHEMBL25335330 0.79 TGFBR1 (0.49) TGFBR1IRAK4KDM4EEPHB3
SCHEMBL25333943 0.75 TGFBR1 (0.46) TGFBR1IRAK4KDM4EEPHB3
SCHEMBL25942896 0.71 TGFBR1 (0.52) TGFBR1IRAK4
SCHEMBL25942659 0.71 TGFBR1 (0.54) TGFBR1IRAK4
SCHEMBL25943030 0.71 TGFBR1 (0.54) TGFBR1IRAK4
SCHEMBL25338468 0.71 TGFBR1 (0.61) TGFBR1IRAK4
SCHEMBL25942937 0.70 TGFBR1 (0.41) TGFBR1IRAK4EPHB3
SCHEMBL25943032 0.70 TGFBR1 (0.51) TGFBR1IRAK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380818-A Pyrazolo pyridine compound, and pharmaceutical composition, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2022-04-22 — — CN disclosed
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