SCHEMBL25869936

SCHEMBL25869936

COc1cc(N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2N(C)[SH]=O)n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.76
▸ ALK Q9UM73 14/20 0.66
▸ MET P08581 3/20 0.64
▸ INSR P06213 11/20 0.63
▸ IGF1R P08069 11/20 0.63
▸ CHEK1 O14757 2/20 0.58
▸ AURKA O14965 2/20 0.58
▸ NUAK1 O60285 2/20 0.58
▸ JAK2 O60674 2/20 0.58
▸ STK10 O94804 2/20 0.58
▸ PRKD3 O94806 2/20 0.58
▸ CHEK2 O96017 2/20 0.58
▸ ABL1 P00519 2/20 0.58
▸ ERBB2 P04626 2/20 0.58
▸ LCK P06239 2/20 0.58
▸ FYN P06241 2/20 0.58
▸ FES P07332 2/20 0.58
▸ CSF1R P07333 2/20 0.58
▸ YES1 P07947 2/20 0.58
▸ LYN P07948 2/20 0.58

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
SCHEMBL25869799 0.94 ALK (0.75) EGFRALKINSRIGF1RCDK2
SCHEMBL25871546 0.91 ALK (0.64) EGFRALKINSRIGF1RCDK2
SCHEMBL26496845 0.90 EGFR (0.81) EGFRALKMETINSRIGF1R
SCHEMBL29059689 0.90 EGFR (0.75) EGFRALKMETINSRIGF1R
SCHEMBL30497499 0.90 EGFR (0.81) EGFRALKMETINSRIGF1R
SCHEMBL25872145 0.90 ALK (0.66) EGFRALKZAP70
SCHEMBL25871301 0.90 EGFR (0.63) EGFRALKMETINSRIGF1R
SCHEMBL29021189 0.89 EGFR (0.77) EGFRALKMETINSRIGF1R
SCHEMBL25870243 0.88 EGFR (0.61) EGFRALKMETINSRIGF1R
SCHEMBL25370102 0.88 EGFR (0.81) EGFRALKMETINSRIGF1R

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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