SCHEMBL30948592

SCHEMBL30948592

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(N)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)C)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 15/20 0.66
▸ IGF1R P08069 15/20 0.66
▸ ALK Q9UM73 15/20 0.66
▸ EGFR P00533 7/20 0.61
▸ CHEK1 O14757 2/20 0.59
▸ AURKA O14965 2/20 0.59
▸ NUAK1 O60285 2/20 0.59
▸ JAK2 O60674 2/20 0.59
▸ STK10 O94804 2/20 0.59
▸ PRKD3 O94806 2/20 0.59
▸ CHEK2 O96017 2/20 0.59
▸ ABL1 P00519 2/20 0.59
▸ ERBB2 P04626 2/20 0.59
▸ LCK P06239 2/20 0.59
▸ FYN P06241 2/20 0.59
▸ FES P07332 2/20 0.59
▸ CSF1R P07333 2/20 0.59
▸ YES1 P07947 2/20 0.59
▸ LYN P07948 2/20 0.59
▸ RET P07949 2/20 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
SCHEMBL29253683 1.00 INSR (0.66) INSRIGF1RALKEGFRCHEK1
SCHEMBL27360981 0.92 ALK (0.77) INSRIGF1RALKEGFRCHEK1
SCHEMBL19288549 0.88 INSR (0.85) INSRIGF1RALKEGFRCHEK1
SCHEMBL29253661 0.87 ALK (0.68) INSRIGF1RALKEGFRCHEK1
SCHEMBL25159176 0.87 EGFR (0.63) INSRIGF1RALKEGFRCHEK1
SCHEMBL22520175 0.87 ALK (0.85) INSRIGF1RALKEGFRCHEK1
SCHEMBL29253697 0.87 ALK (0.68) INSRIGF1RALKEGFRCHEK1
SCHEMBL30364542 0.85 EGFR (0.80) INSRIGF1RALKEGFRCHEK1
SCHEMBL21558123 0.84 EGFR (0.68) INSRIGF1RALKEGFRMAPK3
SCHEMBL24179052 0.84 INSR (0.69) INSRIGF1RALKEGFRCHEK1

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
CN-113677680-B EGFR inhibitor, composition and application thereof 贝达药业股份有限公司 2024-05-10 — — CN disclosed
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