SCHEMBL29796642

SCHEMBL29796642

Cc1cccc(-c2c(-c3ccc4ncc(Br)cc4c3)ncn2COCC[Si](C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.38
TGFBR1 P36897 15/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
TGFBR2 P37173 3/20 0.33
MAP3K20 Q9NYL2 1/20 0.33
MTOR P42345 1/20 0.32
PDGFRA P16234 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
PRKD1 Q15139 1/20 0.32
MAPK14 Q16539 1/20 0.32
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL23389579 1.00 DGAT1 (0.38) DGAT1TGFBR1BRD4CREBBPTGFBR2
SCHEMBL23389773 0.94 TGFBR1 (0.38) DGAT1TGFBR1BRD4CREBBPTGFBR2
SCHEMBL29796722 0.94 TGFBR1 (0.38) DGAT1TGFBR1BRD4CREBBPTGFBR2
SCHEMBL29796654 0.89 TGFBR1 (0.34) DGAT1TGFBR1BRD4CREBBPTGFBR2
SCHEMBL23389732 0.89 TGFBR1 (0.34) DGAT1TGFBR1BRD4CREBBPTGFBR2
SCHEMBL23389954 0.88 TGFBR1 (0.38) DGAT1TGFBR1BRD4CREBBPTGFBR2
SCHEMBL29796667 0.88 TGFBR1 (0.38) DGAT1TGFBR1BRD4CREBBPTGFBR2
SCHEMBL23389504 0.88 TGFBR1 (0.38) DGAT1TGFBR1BRD4CREBBPTGFBR2
SCHEMBL29796627 0.88 TGFBR1 (0.38) DGAT1TGFBR1BRD4CREBBPTGFBR2
SCHEMBL23390009 0.87 TGFBR1 (0.34) DGAT1TGFBR1BRD4CREBBPTGFBR2

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