SCHEMBL31728617

SCHEMBL31728617

Nc1ncnc2c(-c3ccc(F)c(Cl)c3F)cc(N3CCOCC3=O)cc12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.49
▸ DGAT1 O75907 6/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PTGS2 P35354 7/20 0.38
▸ MTOR P42345 2/20 0.36
▸ F10 P00742 1/20 0.35

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
SCHEMBL31728418 0.78 CHRM4 (0.33) DGAT1
SCHEMBL31729258 0.77 IP6K1 (0.35) PIK3CDDGAT1
SCHEMBL31727908 0.77 KCNH2 (0.36) PIK3CDDGAT1PIK3CAPIK3CGPIK3CB
SCHEMBL31728332 0.73 CLK1 (0.38) —
SCHEMBL31729228 0.69 LRRK2 (0.39) PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL31728602 0.67 CNR2 (0.49) DGAT1
SCHEMBL31728069 0.67 CLK1 (0.39) —
SCHEMBL31729239 0.67 CNR2 (0.53) PIK3CDDGAT1PIK3CAPIK3CGPIK3CB
SCHEMBL19279703 0.65 PIK3CD (1.00) PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL24195918 0.65 F10 (0.48) PIK3CDPIK3CAPIK3CGPIK3CBPTGS2

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-2025235874-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 — — WO disclosed
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