SCHEMBL31729203

SCHEMBL31729203

COc1ccc(-c2ncc(O[C@@H](C)c3ncn(C(F)F)n3)c3c(N)ncnc23)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 20/20 0.41
▸ ABL1 P00519 17/20 0.40
▸ PIK3CD O00329 15/20 0.40
▸ EGFR P00533 15/20 0.40
▸ HCK P08631 15/20 0.40
▸ PIK3CA P42336 15/20 0.40
▸ PIK3CB P42338 15/20 0.40
▸ MTOR P42345 15/20 0.40
▸ PIK3CG P48736 15/20 0.40
▸ EPHB4 P54760 15/20 0.40
▸ PRKDC P78527 15/20 0.40
▸ KDR P35968 14/20 0.40
▸ PI4KB Q9UBF8 13/20 0.40

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
SCHEMBL31729284 0.87 SRC (0.37) SRCABL1PIK3CDEGFRHCK
SCHEMBL31728370 0.82 SRC (0.30) SRC
SCHEMBL31728539 0.77 SRC (0.35) SRCABL1PIK3CDEGFRHCK
SCHEMBL31727755 0.75 SRC (0.34) SRCABL1PIK3CDEGFRHCK
SCHEMBL31728587 0.73 SRC (0.31) SRCABL1PIK3CDEGFRHCK
SCHEMBL31727804 0.73 SRC (0.37) SRCABL1PIK3CDEGFRHCK
SCHEMBL31728138 0.73 JAK2 (0.33) SRCABL1PIK3CDEGFRHCK
SCHEMBL31728758 0.73 PIK3CD (0.34) SRCABL1PIK3CDEGFRHCK
SCHEMBL31728243 0.72 MET (0.34) SRCABL1PIK3CDEGFRHCK
SCHEMBL31727977 0.72 PIK3CD (0.31) SRCABL1PIK3CDEGFRHCK

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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