SCHEMBL31729300

SCHEMBL31729300

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 10/20 0.35
▸ ALK Q9UM73 6/20 0.34
▸ ABL1 P00519 2/20 0.33
▸ EGFR P00533 2/20 0.33
▸ HCK P08631 2/20 0.33
▸ SRC P12931 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ MTOR P42345 2/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ EPHB4 P54760 2/20 0.33
▸ PRKDC P78527 2/20 0.33
▸ PI4KB Q9UBF8 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ EIF2AK3 Q9NZJ5 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR7 P34969 1/20 0.32

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
SCHEMBL31728112 0.94 MET (0.33) METALKABL1EGFRHCK
SCHEMBL31727950 0.94 MET (0.33) METALKABL1EGFRHCK
SCHEMBL31727749 0.91 SRC (0.36) METALKABL1EGFRHCK
SCHEMBL31727909 0.84 MET (0.33) METALKABL1EGFRHCK
SCHEMBL31728507 0.84 MET (0.33) METALKABL1EGFRHCK
SCHEMBL31728182 0.84 MET (0.35) METALKABL1EGFRHCK
SCHEMBL31728084 0.84 MET (0.35) METALKABL1EGFRHCK
SCHEMBL31729229 0.83 ALOX5AP (0.31) MET
SCHEMBL31728549 0.83 MET (0.33) METALKABL1EGFRHCK
SCHEMBL31728775 0.82 SRC (0.36) METALKABL1EGFRHCK

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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