SCHEMBL29796380

SCHEMBL29796380

Cc1cccc(-c2nn3cc(Cl)ccc3c2-c2ccc3ncccc3n2)n1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 20/20 0.49
▸ MAPK14 Q16539 4/20 0.41
▸ THRB P10828 2/20 0.41

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
SCHEMBL23389927 1.00 TGFBR1 (0.49) TGFBR1MAPK14THRB
SCHEMBL25822562 0.85 TGFBR1 (0.38) TGFBR1MAPK14THRB
SCHEMBL23418760 0.84 TGFBR1 (0.38) TGFBR1MAPK14THRB
SCHEMBL30156053 0.79 TGFBR1 (0.37) TGFBR1MAPK14THRB
SCHEMBL25084820 0.79 TGFBR1 (0.37) TGFBR1MAPK14THRB
SCHEMBL19683489 0.75 TGFBR1 (0.59) TGFBR1MAPK14
SCHEMBL11992061 0.74 TGFBR1 (0.66) TGFBR1MAPK14
SCHEMBL23389936 0.74 CCR1 (0.40) TGFBR1MAPK14THRB
SCHEMBL29796504 0.74 CCR1 (0.40) TGFBR1MAPK14THRB
SCHEMBL23389751 0.71 TGFBR1 (0.37) TGFBR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4061809-A1 SUBSTITUTED 1,5-NAPHTHYRIDINES OR QUINOLINES AS ALK5 INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2022-09-28 — — EP disclosed
CN-114728941-A Substituted 1, 5-naphthyridines or quinolines as ALK5 inhibitors 施万生物制药研发IP有限责任公司 2022-07-08 — — CN disclosed
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