SCHEMBL31728351

SCHEMBL31728351

COc1cc(OCc2ncn(C(F)F)n2)c2c(N)ncnc2c1-c1ccc(F)c(Cl)c1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 4/20 0.35
▸ ABL1 P00519 3/20 0.35
▸ EGFR P00533 3/20 0.35
▸ HCK P08631 3/20 0.35
▸ KDR P35968 3/20 0.35
▸ PIK3CB P42338 3/20 0.35
▸ MTOR P42345 3/20 0.35
▸ PIK3CG P48736 3/20 0.35
▸ EPHB4 P54760 3/20 0.35
▸ PRKDC P78527 3/20 0.35
▸ PI4KB Q9UBF8 3/20 0.35
▸ PIK3CD O00329 2/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ EIF2AK3 Q9NZJ5 3/20 0.32
▸ LRRK2 Q5S007 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
SCHEMBL31727918 0.91 — —
SCHEMBL31728406 0.90 PIK3CD (0.31) SRCABL1EGFRHCKKDR
SCHEMBL31728886 0.90 KDR (0.34) SRCABL1EGFRHCKKDR
SCHEMBL31727882 0.90 ALOX5AP (0.32) SRCABL1EGFRHCKKDR
SCHEMBL31728385 0.80 PIK3CD (0.35) SRCABL1EGFRHCKKDR
SCHEMBL31728487 0.80 MET (0.31) SRCABL1EGFRHCKKDR
SCHEMBL31728995 0.80 ABL1 (0.30) SRCABL1EGFRHCKKDR
SCHEMBL31728961 0.78 EGFR (0.38) SRCABL1EGFRHCKKDR
SCHEMBL31729157 0.77 PDE5A (0.39) SRCABL1EGFRHCKKDR
SCHEMBL31728714 0.76 FYN (0.39) SRCABL1EGFRHCKKDR

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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