SCHEMBL25871546

SCHEMBL25871546

COc1cc(N2CCC(CN3CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2N(C)[SH]=O)n1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 16/20 0.64
▸ EGFR P00533 3/20 0.62
▸ INSR P06213 1/20 0.59
▸ IGF1R P08069 1/20 0.59
▸ ZAP70 P43403 1/20 0.54
▸ CCNK O75909 1/20 0.53
▸ CCNA2 P20248 1/20 0.53
▸ CDK2 P24941 1/20 0.53
▸ CCND3 P30281 1/20 0.53
▸ CDK9 P50750 1/20 0.53
▸ CDK6 Q00534 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
SCHEMBL25872847 0.93 ALK (0.63) ALKEGFRINSRIGF1RZAP70
SCHEMBL25871925 0.93 ALK (0.59) ALKEGFRINSRIGF1RZAP70
SCHEMBL25869799 0.92 ALK (0.75) ALKEGFRINSRIGF1RZAP70
SCHEMBL30497526 0.91 EGFR (0.67) ALKEGFRINSRIGF1RZAP70
SCHEMBL25871972 0.91 ALK (0.57) ALKEGFRINSRIGF1RZAP70
SCHEMBL26495614 0.91 EGFR (0.67) ALKEGFRINSRIGF1RZAP70
SCHEMBL25869936 0.91 EGFR (0.76) ALKEGFRINSRIGF1RZAP70
SCHEMBL25872979 0.90 ALK (0.57) ALKEGFRINSRIGF1RZAP70
SCHEMBL25871927 0.89 ALK (0.62) ALKEGFRINSRIGF1R
SCHEMBL25872052 0.88 ALK (0.62) ALKEGFRINSRIGF1RZAP70

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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