SCHEMBL25872979

SCHEMBL25872979

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 12/20 0.57
▸ INSR P06213 7/20 0.57
▸ IGF1R P08069 7/20 0.57
▸ EGFR P00533 6/20 0.53
▸ ZAP70 P43403 3/20 0.53
▸ MET P08581 1/20 0.53
▸ AURKA O14965 1/20 0.52
▸ ROS1 P08922 1/20 0.52
▸ EML4 Q9HC35 1/20 0.52

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
SCHEMBL26495861 0.91 EGFR (0.65) ALKINSRIGF1REGFRZAP70
SCHEMBL30497497 0.91 EGFR (0.65) ALKINSRIGF1REGFRZAP70
SCHEMBL29059652 0.91 ALK (0.57) ALKINSRIGF1REGFRZAP70
SCHEMBL25871925 0.90 ALK (0.59) ALKINSRIGF1REGFRZAP70
SCHEMBL25871546 0.90 ALK (0.64) ALKINSRIGF1REGFRZAP70
SCHEMBL25871972 0.88 ALK (0.57) ALKINSRIGF1REGFRZAP70
SCHEMBL25872052 0.88 ALK (0.62) ALKINSRIGF1REGFRZAP70
SCHEMBL25872847 0.87 ALK (0.63) ALKINSRIGF1REGFRZAP70
SCHEMBL25871927 0.87 ALK (0.62) ALKINSRIGF1REGFRMET
SCHEMBL30497531 0.86 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
EP-4212522-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF J2H Biotech Inc. (KR) 2023-07-19 — — EP disclosed
Send feedback