SCHEMBL31727705

SCHEMBL31727705

[2H]C([2H])([2H])n1cnc([C@H](C)Oc2cc(OCC(F)(F)F)c(Br)c3ncnc(N)c23)n1

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ HSP90AB1 P08238 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ G6PD P11413 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL31728938 1.00 AAK1 (0.31) AAK1KDM4EMEN1USP2ALDH1A1
SCHEMBL31728872 1.00 AAK1 (0.31) AAK1KDM4EMEN1USP2ALDH1A1
SCHEMBL31728101 0.85 SRC (0.34) —
SCHEMBL31729233 0.82 RORC (0.32) —
SCHEMBL31728464 0.80 SRC (0.38) —
SCHEMBL31728790 0.80 SRC (0.38) —
SCHEMBL31728890 0.80 SRC (0.38) —
SCHEMBL31728341 0.79 SRC (0.34) —
SCHEMBL31729266 0.78 SRC (0.36) —
SCHEMBL31729162 0.78 SRC (0.36) —

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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