SCHEMBL31728229

SCHEMBL31728229

[2H]C([2H])([2H])Oc1cc(Br)c2ncnc(N)c2c1OC(C)c1ncc(C#N)cn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.34
▸ MET P08581 1/20 0.32
▸ PDE5A O76074 1/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ HCK P08631 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ EPHB4 P54760 1/20 0.30
▸ PRKDC P78527 1/20 0.30
▸ PI4KB Q9UBF8 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
SCHEMBL31728340 0.80 SRC (0.33) PDE5APIK3CDABL1EGFRHCK
SCHEMBL31728871 0.79 MET (0.42) MET
SCHEMBL31729211 0.79 MET (0.42) MET
SCHEMBL31728401 0.73 SRC (0.39) PDE5APIK3CDABL1EGFRHCK
SCHEMBL31727804 0.71 SRC (0.37) PDE5APIK3CDABL1EGFRHCK
SCHEMBL31728083 0.70 PDE5A (0.35) PDE5APIK3CDABL1EGFRHCK
SCHEMBL31728476 0.70 PDE5A (0.35) PDE5APIK3CDABL1EGFRHCK
SCHEMBL31728368 0.69 — —
SCHEMBL31729013 0.68 PDE5A (0.41) HTTPDE5APIK3CDABL1EGFR
SCHEMBL31728534 0.61 PDE5A (0.44) PDE5APIK3CDABL1EGFRHCK

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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