SCHEMBL31513376

SCHEMBL31513376

C=CC(=O)Nc1ccc2c(c1)c(C#Cc1ccc(Cl)cc1)cn2C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 5/20 0.45
▸ XDH P47989 1/20 0.43
▸ GSK3B P49841 3/20 0.42
▸ CMA1 P23946 2/20 0.39
▸ EGFR P00533 5/20 0.38
▸ GSTO1 P78417 1/20 0.38
▸ TGM2 P21980 1/20 0.36
▸ NOX1 Q9Y5S8 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ERBB2 P04626 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
SCHEMBL31513400 0.87 TGM2 (0.51) BRD4XDHGSK3BEGFRTGM2
SCHEMBL31513455 0.84 XDH (0.43) XDHCMA1NPC1TP53RAB9A
SCHEMBL31513337 0.82 FGFR1 (0.40) BRD4EGFRERBB2
SCHEMBL31513342 0.82 BRD4 (0.40) BRD4EGFRGSTO1TGM2NOX1
SCHEMBL31513384 0.78 FGFR4 (0.38) BRD4GSK3BEGFRERBB2
SCHEMBL26630276 0.77 MEN1 (0.50) BRD4GSK3BEGFRNPC1TP53
SCHEMBL26630280 0.77 MEN1 (0.50) BRD4GSK3BEGFRNPC1TP53
SCHEMBL31513332 0.76 GSK3B (0.40) BRD4XDHGSK3BEGFRTGM2
SCHEMBL31513415 0.73 TGM2 (0.43) BRD4GSK3BEGFRTGM2
SCHEMBL31513461 0.73 TGM2 (0.43) BRD4EGFRTGM2ERBB2

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
WO-2025088534-A1 BICYCLIC HETEROCYCLE COMPOUNDS AS TEAD INHIBITOR DONG-A ST CO., LTD. (KR) 2025-05-01 — — WO disclosed
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