SCHEMBL31728491

SCHEMBL31728491

C[C@H](Oc1cc(C#N)c(-c2ccc(F)c(Cl)c2F)c2ncnc(N)c12)c1ncn(C(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 6/20 0.38
▸ PIK3CD O00329 2/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ EGFR P00533 2/20 0.35
▸ HCK P08631 2/20 0.35
▸ SRC P12931 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ PIK3CB P42338 2/20 0.35
▸ MTOR P42345 2/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ EPHB4 P54760 2/20 0.35
▸ PRKDC P78527 2/20 0.35
▸ EIF2AK3 Q9NZJ5 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.30

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
SCHEMBL31728487 0.86 MET (0.31) METPIK3CDABL1EGFRHCK
SCHEMBL31728243 0.85 MET (0.34) METPIK3CDABL1EGFRHCK
SCHEMBL31729300 0.81 MET (0.35) METPIK3CDABL1EGFRHCK
SCHEMBL31728941 0.80 EIF2AK3 (0.39) METPIK3CDABL1EGFRHCK
SCHEMBL31728995 0.80 ABL1 (0.30) PIK3CDABL1EGFRHCKSRC
SCHEMBL31729192 0.79 PIK3CD (0.34) METPIK3CDABL1EGFRHCK
SCHEMBL31728758 0.79 PIK3CD (0.34) METPIK3CDABL1EGFRHCK
SCHEMBL31728112 0.79 MET (0.33) METPIK3CDABL1EGFRHCK
SCHEMBL31727950 0.79 MET (0.33) METPIK3CDABL1EGFRHCK
SCHEMBL31727909 0.78 MET (0.33) METPIK3CDABL1EGFRHCK

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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