SCHEMBL31729233

SCHEMBL31729233

[2H]C([2H])([2H])n1cnc([C@H](C)Oc2cc(OCC(F)(F)F)c(-c3cccc(Cl)c3Cl)c3ncnc(N)c23)n1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 3/20 0.32
▸ SCN9A Q15858 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
SCHEMBL31728589 0.85 SCN9A (0.32) RORCSCN9A
SCHEMBL31727720 0.84 EPHB4 (0.33) —
SCHEMBL31727705 0.82 AAK1 (0.31) —
SCHEMBL31728872 0.82 AAK1 (0.31) —
SCHEMBL31728938 0.82 AAK1 (0.31) —
SCHEMBL31728235 0.80 SCN9A (0.35) SCN9A
SCHEMBL31728539 0.78 SRC (0.35) —
SCHEMBL31727946 0.76 DRD2 (0.36) —
SCHEMBL31727906 0.76 DRD2 (0.36) —
SCHEMBL31727763 0.75 SRC (0.35) —

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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