SCHEMBL31727872

SCHEMBL31727872

[2H]C([2H])([2H])Oc1cc(-c2cccc(Cl)c2)c2ncnc(N)c2c1O[C@@H](C)c1ncn(C([2H])([2H])[2H])n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 7/20 0.35
▸ ABL1 P00519 4/20 0.35
▸ EGFR P00533 3/20 0.35
▸ KDR P35968 3/20 0.35
▸ ABL2 P42684 1/20 0.35
▸ RIPK2 O43353 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ CLK1 P49759 2/20 0.32
▸ PIK3CD O00329 4/20 0.32
▸ FYN P06241 2/20 0.32
▸ HCK P08631 2/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ PIK3CB P42338 2/20 0.31
▸ MTOR P42345 2/20 0.31
▸ PIK3CG P48736 2/20 0.31
▸ EPHB4 P54760 2/20 0.31
▸ PRKDC P78527 2/20 0.31
▸ PI4KB Q9UBF8 2/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ MAP4K4 O95819 2/20 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
SCHEMBL31728046 0.89 SRC (0.37) SRCABL1EGFRKDRABL2
SCHEMBL31728749 0.89 PIK3CD (0.30) SRCABL1EGFRKDRPIK3CD
SCHEMBL31727826 0.89 SRC (0.36) SRCABL1EGFRKDRABL2
SCHEMBL31728350 0.87 SRC (0.39) SRCABL1EGFRKDRABL2
SCHEMBL31728979 0.87 SRC (0.39) SRCABL1EGFRKDRABL2
SCHEMBL31727824 0.83 EGFR (0.33) SRCABL1EGFRKDRABL2
SCHEMBL31728340 0.81 SRC (0.33) SRCABL1EGFRKDRPIK3CD
SCHEMBL31727961 0.76 — —
SCHEMBL31728789 0.74 — —
SCHEMBL31728775 0.74 SRC (0.36) SRCABL1EGFRKDRPIK3CD

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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