SCHEMBL25872148

SCHEMBL25872148

COc1cc(N2CCC3(CCNCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2N(C)[SH]=O)n1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 13/20 0.73
▸ EGFR P00533 8/20 0.62
▸ MET P08581 1/20 0.56
▸ INSR P06213 2/20 0.55
▸ AURKA O14965 1/20 0.55
▸ IGF1R P08069 1/20 0.55
▸ ROS1 P08922 1/20 0.55
▸ EML4 Q9HC35 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
SCHEMBL25869800 0.93 ALK (0.75) ALKEGFRMETINSRAURKA
SCHEMBL29059674 0.91 ALK (0.74) ALKEGFRMETINSRAURKA
SCHEMBL25299463 0.89 ALK (0.72) ALKEGFRMET
SCHEMBL25872232 0.88 ALK (0.59) ALKEGFRMETINSRAURKA
SCHEMBL25869943 0.88 EGFR (0.73) ALKEGFRMETINSRAURKA
SCHEMBL25308115 0.87 ALK (0.71) ALKEGFRMETINSR
SCHEMBL25872145 0.87 ALK (0.66) ALKEGFR
SCHEMBL25871548 0.86 ALK (0.65) ALKEGFRMETINSRAURKA
SCHEMBL25871745 0.86 ALK (0.61) ALKEGFRMETINSRAURKA
SCHEMBL25870035 0.85 EGFR (0.72) ALKEGFRMETINSRAURKA

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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