SCHEMBL29059652

SCHEMBL29059652

COc1cc(N2CCC(CN3CC(C(=O)OC(C)(C)C)C3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2N(C)[S+](C)[O-])n1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 10/20 0.57
▸ INSR P06213 6/20 0.57
▸ IGF1R P08069 6/20 0.57
▸ EGFR P00533 7/20 0.53
▸ ZAP70 P43403 3/20 0.52
▸ MET P08581 1/20 0.52
▸ AURKA O14965 1/20 0.51
▸ ROS1 P08922 1/20 0.51
▸ EML4 Q9HC35 1/20 0.51
▸ MAP3K7 O43318 1/20 0.50

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
SCHEMBL29059802 0.95 ALK (0.58) ALKINSRIGF1REGFRZAP70
SCHEMBL29059672 0.92 ALK (0.58) ALKINSRIGF1REGFRZAP70
SCHEMBL25872979 0.91 ALK (0.57) ALKINSRIGF1REGFRZAP70
SCHEMBL29059787 0.90 ALK (0.58) ALKINSRIGF1REGFRZAP70
SCHEMBL30497497 0.90 EGFR (0.65) ALKINSRIGF1REGFRZAP70
SCHEMBL26495861 0.90 EGFR (0.65) ALKINSRIGF1REGFRZAP70
SCHEMBL29059680 0.89 ALK (0.56) ALKINSRIGF1REGFRZAP70
SCHEMBL29059839 0.89 ALK (0.56) ALKINSRIGF1REGFRZAP70
SCHEMBL29059824 0.87 ALK (0.52) ALKINSRIGF1REGFRZAP70
SCHEMBL26495681 0.85 EGFR (0.65) ALKINSRIGF1REGFRZAP70

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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