SCHEMBL25870332

SCHEMBL25870332

COc1cc(N2CCN(CCCCC(=O)O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2N(C)[SH]=O)n1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 16/20 0.60
▸ INSR P06213 4/20 0.60
▸ IGF1R P08069 4/20 0.60
▸ MAP3K7 O43318 1/20 0.56
▸ EGFR P00533 3/20 0.55
▸ MET P08581 1/20 0.55
▸ ZAP70 P43403 1/20 0.54

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
SCHEMBL25870244 0.94 EGFR (0.64) ALKINSRIGF1RMAP3K7EGFR
SCHEMBL25870490 0.90 ALK (0.58) ALKINSRIGF1RMAP3K7EGFR
SCHEMBL25304856 0.90 EGFR (0.69) ALKINSRIGF1RMAP3K7EGFR
SCHEMBL25871302 0.90 EGFR (0.66) ALKINSRIGF1RMAP3K7EGFR
SCHEMBL25870243 0.86 EGFR (0.61) ALKINSRIGF1RMAP3K7EGFR
SCHEMBL25871978 0.86 ALK (0.60) ALKINSRIGF1RMAP3K7EGFR
SCHEMBL29059883 0.85 ALK (0.62) ALKINSRIGF1RMAP3K7EGFR
SCHEMBL25871927 0.85 ALK (0.62) ALKINSRIGF1REGFRMET
SCHEMBL29059803 0.85 ALK (0.62) ALKINSRIGF1RMAP3K7EGFR
SCHEMBL25872232 0.85 ALK (0.59) 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
EP-4212522-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF J2H Biotech Inc. (KR) 2023-07-19 — — EP disclosed
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