SCHEMBL31727909

SCHEMBL31727909

C[C@@H](Oc1cc(F)c(-c2ccc(F)c(Cl)c2F)c2ncnc(N)c12)c1nnn(C(F)F)n1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 14/20 0.33
▸ EIF2AK3 Q9NZJ5 1/20 0.33
▸ ABL1 P00519 2/20 0.32
▸ EGFR P00533 2/20 0.32
▸ HCK P08631 2/20 0.32
▸ SRC P12931 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ PIK3CB P42338 2/20 0.32
▸ MTOR P42345 2/20 0.32
▸ PIK3CG P48736 2/20 0.32
▸ EPHB4 P54760 2/20 0.32
▸ PRKDC P78527 2/20 0.32
▸ PI4KB Q9UBF8 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ ALK Q9UM73 2/20 0.31
▸ JAK2 O60674 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
SCHEMBL31728507 1.00 MET (0.33) METEIF2AK3ABL1EGFRHCK
SCHEMBL31729300 0.84 MET (0.35) METEIF2AK3ABL1EGFRHCK
SCHEMBL31728182 0.82 MET (0.35) METEIF2AK3ABL1EGFRHCK
SCHEMBL31728084 0.82 MET (0.35) METEIF2AK3ABL1EGFRHCK
SCHEMBL31728112 0.82 MET (0.33) METEIF2AK3ABL1EGFRHCK
SCHEMBL31727950 0.82 MET (0.33) METEIF2AK3ABL1EGFRHCK
SCHEMBL31728491 0.78 MET (0.38) METEIF2AK3ABL1EGFRHCK
SCHEMBL31729157 0.77 PDE5A (0.39) EIF2AK3ABL1EGFRHCKSRC
SCHEMBL31728995 0.77 ABL1 (0.30) ABL1EGFRHCKSRCKDR
SCHEMBL31728243 0.76 MET (0.34) METABL1EGFRHCKSRC

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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