SCHEMBL25872847

SCHEMBL25872847

COc1cc(N2CCN(CC3CN(C(=O)OC(C)(C)C)C3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2N(C)[SH]=O)n1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 0.63
▸ EGFR P00533 2/20 0.58
▸ ZAP70 P43403 1/20 0.54
▸ INSR P06213 1/20 0.53
▸ IGF1R P08069 1/20 0.53

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
SCHEMBL25871546 0.93 ALK (0.64) ALKEGFRZAP70INSRIGF1R
SCHEMBL25869799 0.92 ALK (0.75) ALKEGFRZAP70INSRIGF1R
SCHEMBL26495833 0.91 EGFR (0.62) ALKEGFRZAP70
SCHEMBL30497491 0.91 EGFR (0.62) ALKEGFRZAP70
SCHEMBL25871972 0.89 ALK (0.57) ALKEGFRZAP70INSRIGF1R
SCHEMBL25871925 0.88 ALK (0.59) ALKEGFRZAP70INSRIGF1R
SCHEMBL25872145 0.87 ALK (0.66) ALKEGFRZAP70
SCHEMBL25872979 0.87 ALK (0.57) ALKEGFRZAP70INSRIGF1R
SCHEMBL25872849 0.86 ALK (0.59) ALKEGFRINSRIGF1R
SCHEMBL25869936 0.86 EGFR (0.76) ALKEGFRZAP70INSRIGF1R

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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