SCHEMBL25870244

SCHEMBL25870244

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.64
▸ MET P08581 3/20 0.64
▸ INSR P06213 14/20 0.63
▸ IGF1R P08069 14/20 0.63
▸ ALK Q9UM73 14/20 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
SCHEMBL25871302 0.96 EGFR (0.66) EGFRMETINSRIGF1RALK
SCHEMBL25870332 0.94 ALK (0.60) EGFRMETINSRIGF1RALK
SCHEMBL25870243 0.92 EGFR (0.61) EGFRMETINSRIGF1RALK
SCHEMBL26497572 0.91 EGFR (0.79) EGFRMETINSRIGF1RALK
SCHEMBL25873359 0.90 EGFR (0.69) EGFRMETINSRIGF1RALK
SCHEMBL25871301 0.89 EGFR (0.63) EGFRMETINSRIGF1RALK
SCHEMBL29059696 0.86 EGFR (0.66) EGFRMETINSRIGF1RALK
SCHEMBL26495588 0.86 EGFR (0.82) EGFRMETINSRIGF1RALK
Hydrochloric Acid SCHEMBL25262712 0.86 EGFR (0.81) EGFRMETINSRIGF1RALK
Hydrochloric Acid SCHEMBL29059830 0.86 EGFR (0.65) EGFRMETINSRIGF1RALK

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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