SCHEMBL29059672

SCHEMBL29059672

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 11/20 0.58
▸ EGFR P00533 8/20 0.58
▸ MET P08581 1/20 0.57
▸ ZAP70 P43403 1/20 0.57
▸ INSR P06213 6/20 0.56
▸ IGF1R P08069 6/20 0.56
▸ AURKA O14965 1/20 0.56
▸ ROS1 P08922 1/20 0.56
▸ EML4 Q9HC35 1/20 0.56
▸ MAP3K7 O43318 1/20 0.55

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 0.94 ALK (0.58) ALKEGFRMETZAP70INSR
SCHEMBL29059652 0.92 ALK (0.57) ALKEGFRMETZAP70INSR
SCHEMBL29059677 0.91 ALK (0.61) ALKEGFRMETZAP70INSR
SCHEMBL29059680 0.90 ALK (0.56) ALKEGFRMETZAP70INSR
SCHEMBL29059834 0.90 ALK (0.66) ALKEGFRMETINSRIGF1R
SCHEMBL29059678 0.90 ALK (0.74) ALKEGFRZAP70INSRIGF1R
SCHEMBL29059689 0.88 EGFR (0.75) ALKEGFRMETZAP70INSR
SCHEMBL29059787 0.87 ALK (0.58) ALKEGFRMETZAP70INSR
SCHEMBL29059824 0.86 ALK (0.52) ALKEGFRMETZAP70INSR
SCHEMBL29059767 0.85 ALK (0.61) ALKEGFRMETZAP70INSR

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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