SCHEMBL25869799

SCHEMBL25869799

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

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.75
▸ EGFR P00533 2/20 0.66
▸ ZAP70 P43403 1/20 0.60
▸ INSR P06213 1/20 0.59
▸ IGF1R P08069 1/20 0.59
▸ CCNK O75909 1/20 0.59
▸ CCNA2 P20248 1/20 0.59
▸ CDK2 P24941 1/20 0.59
▸ CCND3 P30281 1/20 0.59
▸ CDK9 P50750 1/20 0.59
▸ CDK6 Q00534 1/20 0.59
▸ MAPK3 P27361 1/20 0.59

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
SCHEMBL25869936 0.94 EGFR (0.76) ALKEGFRZAP70INSRIGF1R
SCHEMBL25872145 0.94 ALK (0.66) ALKEGFRZAP70
SCHEMBL25871546 0.92 ALK (0.64) ALKEGFRZAP70INSRIGF1R
SCHEMBL25872847 0.92 ALK (0.63) ALKEGFRZAP70INSRIGF1R
SCHEMBL29059678 0.90 ALK (0.74) ALKEGFRZAP70INSRIGF1R
SCHEMBL30497488 0.90 ALK (0.74) ALKEGFRZAP70
SCHEMBL26495301 0.90 ALK (0.74) ALKEGFRZAP70
SCHEMBL21847010 0.87 ALK (0.81) ALKEGFRINSRIGF1RCCNK
SCHEMBL25870489 0.86 ALK (0.56) ALKEGFRZAP70INSRIGF1R
SCHEMBL16752969 0.86 ALK (1.00) ALK

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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