SCHEMBL31469378

SCHEMBL31469378

COc1cc2ncnc(-c3ccnn3C3CCCCO3)c2cc1NC(=O)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATR Q13535 14/20 0.47
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL31469237 0.85 TSHR (0.40) ALDH1A1GAATSHR
SCHEMBL31469256 0.84 ALDH1A1 (0.44) ALDH1A1GAATSHR
SCHEMBL31469356 0.72 MAPT (0.44)
SCHEMBL26114206 0.71 TSHR (0.53) TSHR
SCHEMBL26110729 0.71 EGFR (0.48)
SCHEMBL31469301 0.70 BRAF (0.42)
SCHEMBL31469338 0.70 BRAF (0.52)
SCHEMBL26113555 0.69 EGFR (0.48) ALDH1A1GAA
SCHEMBL31469333 0.69 EGFR (0.43) ALDH1A1GAA
SCHEMBL30698749 0.67 CYP4F2 (0.45) ATRCYP4F2CYP4A11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122029158-A EGFR inhibitors 缆图药品公司 2026-05-12 CN disclosed
WO-2025080784-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2025-04-17 WO disclosed