SCHEMBL31728995

SCHEMBL31728995

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

nearest known ligand 0.30

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.30
▸ SRC P12931 3/20 0.30
▸ EGFR P00533 2/20 0.30
▸ HCK P08631 2/20 0.30
▸ KDR P35968 2/20 0.30
▸ PIK3CB P42338 2/20 0.30
▸ MTOR P42345 2/20 0.30
▸ PIK3CG P48736 2/20 0.30
▸ EPHB4 P54760 2/20 0.30
▸ PRKDC P78527 2/20 0.30
▸ PI4KB Q9UBF8 2/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 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
SCHEMBL31727918 0.84 — —
SCHEMBL31728351 0.80 SRC (0.35) ABL1SRCEGFRHCKKDR
SCHEMBL31728487 0.80 MET (0.31) ABL1SRCEGFRHCKKDR
SCHEMBL31728491 0.80 MET (0.38) ABL1SRCEGFRHCKKDR
SCHEMBL31729300 0.78 MET (0.35) ABL1SRCEGFRHCKKDR
SCHEMBL31728243 0.78 MET (0.34) ABL1SRCEGFRHCKKDR
SCHEMBL31728406 0.78 PIK3CD (0.31) ABL1SRCEGFRHCKKDR
SCHEMBL31728507 0.77 MET (0.33) ABL1SRCEGFRHCKKDR
SCHEMBL31727909 0.77 MET (0.33) ABL1SRCEGFRHCKKDR
SCHEMBL31729157 0.77 PDE5A (0.39) ABL1SRCEGFRHCKKDR

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
Send feedback