SCHEMBL31728749

SCHEMBL31728749

[2H]C([2H])([2H])Oc1cc(-c2cncc(Cl)c2)c2ncnc(N)c2c1O[C@H](C)c1ncn(C([2H])([2H])[2H])n1

nearest known ligand 0.30

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 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
▸ PIK3CB P42338 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
SCHEMBL31727872 0.89 SRC (0.35) PIK3CDABL1EGFRHCKSRC
SCHEMBL31728789 0.86 — —
SCHEMBL31728340 0.81 SRC (0.33) PIK3CDABL1EGFRHCKSRC
SCHEMBL31728407 0.80 JAK2 (0.33) PIK3CDABL1EGFRHCKSRC
SCHEMBL31728708 0.80 JAK2 (0.33) PIK3CDABL1EGFRHCKSRC
SCHEMBL31727826 0.79 SRC (0.36) PIK3CDABL1EGFRHCKSRC
SCHEMBL31728046 0.78 SRC (0.37) PIK3CDABL1EGFRHCKSRC
SCHEMBL31727961 0.76 — —
SCHEMBL31728979 0.75 SRC (0.39) PIK3CDABL1EGFRSRCKDR
SCHEMBL31728350 0.75 SRC (0.39) PIK3CDABL1EGFRSRCKDR

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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