SCHEMBL28724314

SCHEMBL28724314

COc1cc(N2CCC(N3CCNCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2OP(C)(C)(O)O)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.74
▸ ALK Q9UM73 13/20 0.71
▸ INSR P06213 12/20 0.71
▸ IGF1R P08069 12/20 0.71
▸ CHEK1 O14757 1/20 0.62
▸ AURKA O14965 1/20 0.62
▸ NUAK1 O60285 1/20 0.62
▸ JAK2 O60674 1/20 0.62
▸ STK10 O94804 1/20 0.62
▸ PRKD3 O94806 1/20 0.62
▸ SLC34A2 O95436 1/20 0.62
▸ CHEK2 O96017 1/20 0.62
▸ ABL1 P00519 1/20 0.62
▸ CD74 P04233 1/20 0.62
▸ ERBB2 P04626 1/20 0.62
▸ LCK P06239 1/20 0.62
▸ FYN P06241 1/20 0.62
▸ FES P07332 1/20 0.62
▸ CSF1R P07333 1/20 0.62
▸ YES1 P07947 1/20 0.62

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
SCHEMBL29569515 1.00 EGFR (0.74) EGFRALKINSRIGF1RCHEK1
SCHEMBL29094713 0.89 EGFR (0.77) EGFRALKINSRIGF1RCHEK1
SCHEMBL28724315 0.87 EGFR (0.77) EGFRALKINSRIGF1RCHEK1
SCHEMBL30090709 0.87 ALK (0.83) EGFRALKINSRIGF1RCHEK1
SCHEMBL29094740 0.86 EGFR (0.76) EGFRALKINSRIGF1RCHEK1
SCHEMBL21847004 0.85 EGFR (1.00) EGFRLRRK2
SCHEMBL30090724 0.85 ALK (0.87) EGFRALKINSRIGF1RCHEK1
SCHEMBL30936860 0.85 EGFR (1.00) EGFRLRRK2
SCHEMBL11916454 0.85 ALK (0.87) EGFRALKINSRIGF1RCHEK1
SCHEMBL15217790 0.83 INSR (1.00) EGFRALKINSRIGF1RCHEK1

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-114286678-A Compounds for inhibiting and inducing degradation of EGFR and ALK 北京泰德制药股份有限公司 2022-04-05 — — CN disclosed
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