SCHEMBL25870489

SCHEMBL25870489

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 14/20 0.56
▸ INSR P06213 3/20 0.55
▸ IGF1R P08069 3/20 0.55
▸ EGFR P00533 3/20 0.52
▸ MAP3K7 O43318 1/20 0.52
▸ ZAP70 P43403 1/20 0.52
▸ PTK2 Q05397 1/20 0.51
▸ 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
SCHEMBL25870490 0.92 ALK (0.58) ALKINSRIGF1REGFRMAP3K7
SCHEMBL26497839 0.91 EGFR (0.63) ALKINSRIGF1REGFRMAP3K7
SCHEMBL30497501 0.91 EGFR (0.63) ALKINSRIGF1REGFRMAP3K7
SCHEMBL29059663 0.90 ALK (0.57) ALKINSRIGF1REGFRMAP3K7
SCHEMBL25869799 0.86 ALK (0.75) ALKINSRIGF1REGFRZAP70
SCHEMBL25871301 0.86 EGFR (0.63) ALKINSRIGF1REGFRMAP3K7
SCHEMBL25870243 0.86 EGFR (0.61) ALKINSRIGF1REGFRMAP3K7
SCHEMBL25871972 0.85 ALK (0.57) ALKINSRIGF1REGFRMAP3K7
SCHEMBL25872847 0.85 ALK (0.63) ALKINSRIGF1REGFRZAP70
SCHEMBL25870332 0.85 ALK (0.60) ALKINSRIGF1REGFRMAP3K7

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
Send feedback