SCHEMBL31729280

SCHEMBL31729280

CC(C)(C)OC(=O)N1CC2(CC(=O)N(c3cc(-c4cccc(Cl)c4Cl)c4ncnc(N)c4c3)C2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ MAP4K4 O95819 1/20 0.35
▸ DGAT1 O75907 1/20 0.34
▸ SMARCA2 P51531 1/20 0.34
▸ SMARCA4 P51532 1/20 0.34
▸ PBRM1 Q86U86 1/20 0.34
▸ EGFR P00533 3/20 0.33
▸ SRC P12931 3/20 0.33
▸ ABL1 P00519 2/20 0.33
▸ ABL2 P42684 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ ADK P55263 1/20 0.32
▸ DGAT2 Q96PD7 2/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ EGLN2 Q96KS0 1/20 0.32
▸ RET P07949 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
SCHEMBL31729246 0.85 DGAT1 (0.39) CNR2DGAT1
SCHEMBL31729200 0.82 DGAT1 (0.39) DGAT1
SCHEMBL31728602 0.72 CNR2 (0.49) CNR2MAP4K4DGAT1
SCHEMBL18291721 0.69 ALOX5AP (0.40) MTORUSP30EGLN2
SCHEMBL31728568 0.68 DGAT1 (0.41) CNR2MAP4K4DGAT1
SCHEMBL31727998 0.68 MAP4K4 (0.49) CNR1CNR2MAP4K4DGAT1
SCHEMBL31729125 0.67 DGAT1 (0.38) DGAT1SCN9A
SCHEMBL31728456 0.67 GRM5 (0.38) CNR2DGAT1
SCHEMBL30125742 0.67 EGFR (0.48) EGFR
SCHEMBL28829167 0.66 ROCK2 (0.48) USP30

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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