SCHEMBL29059663

SCHEMBL29059663

COc1cc(N2CCN(CCOCC(=O)OC(C)(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2N(C)[S+](C)[O-])n1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 14/20 0.57
▸ INSR P06213 3/20 0.55
▸ IGF1R P08069 3/20 0.55
▸ MAP3K7 O43318 1/20 0.54
▸ EGFR P00533 4/20 0.53
▸ ZAP70 P43403 1/20 0.52
▸ MET P08581 1/20 0.51

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
SCHEMBL25870489 0.90 ALK (0.56) ALKINSRIGF1RMAP3K7EGFR
SCHEMBL30497501 0.89 EGFR (0.63) ALKINSRIGF1RMAP3K7EGFR
SCHEMBL26497839 0.89 EGFR (0.63) ALKINSRIGF1RMAP3K7EGFR
SCHEMBL29059678 0.88 ALK (0.74) ALKINSRIGF1REGFRZAP70
SCHEMBL29059684 0.87 EGFR (0.62) ALKINSRIGF1RMAP3K7EGFR
SCHEMBL29059680 0.87 ALK (0.56) ALKINSRIGF1RMAP3K7EGFR
SCHEMBL29059839 0.87 ALK (0.56) ALKINSRIGF1RMAP3K7EGFR
SCHEMBL29059787 0.86 ALK (0.58) ALKINSRIGF1RMAP3K7EGFR
SCHEMBL29059672 0.84 ALK (0.58) ALKINSRIGF1RMAP3K7EGFR
SCHEMBL29059824 0.84 ALK (0.52) ALKINSRIGF1RMAP3K7EGFR

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
CN-116490184-A Compounds for inhibiting EGFR mutant cancers and pharmaceutical uses thereof J2H生物科技有限公司 2023-07-25 — — CN disclosed
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