SCHEMBL31728340

SCHEMBL31728340

[2H]C([2H])([2H])Oc1cc(Br)c2ncnc(N)c2c1OC(C)c1ncn(C([2H])([2H])[2H])n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 4/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ ABL1 P00519 2/20 0.33
▸ EGFR P00533 2/20 0.33
▸ HCK P08631 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ PIK3CA P42336 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
▸ PDE5A O76074 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
SCHEMBL31728368 0.90 — —
SCHEMBL31728401 0.88 SRC (0.39) SRCPIK3CDABL1EGFRHCK
SCHEMBL31728341 0.82 SRC (0.34) SRCPIK3CDABL1EGFRHCK
SCHEMBL31728831 0.82 — —
SCHEMBL31728749 0.81 PIK3CD (0.30) SRCPIK3CDABL1EGFRHCK
SCHEMBL31727872 0.81 SRC (0.35) SRCPIK3CDABL1EGFRHCK
SCHEMBL31727804 0.80 SRC (0.37) SRCPIK3CDABL1EGFRHCK
SCHEMBL31728229 0.80 HTT (0.34) SRCPIK3CDABL1EGFRHCK
SCHEMBL31727961 0.79 — —
SCHEMBL31728101 0.77 SRC (0.34) SRCPIK3CDABL1EGFRHCK

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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