SCHEMBL22821735

SCHEMBL22821735

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C#C[Si](C)(C)C)cc1Nc1ncc(Cl)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.69
▸ INSR P06213 3/20 0.60
▸ IGF1R P08069 3/20 0.60
▸ ALK Q9UM73 3/20 0.60
▸ CHEK1 O14757 1/20 0.56
▸ AURKA O14965 1/20 0.56
▸ NUAK1 O60285 1/20 0.56
▸ JAK2 O60674 1/20 0.56
▸ STK10 O94804 1/20 0.56
▸ PRKD3 O94806 1/20 0.56
▸ SLC34A2 O95436 1/20 0.56
▸ CHEK2 O96017 1/20 0.56
▸ ABL1 P00519 1/20 0.56
▸ CD74 P04233 1/20 0.56
▸ ERBB2 P04626 1/20 0.56
▸ LCK P06239 1/20 0.56
▸ FYN P06241 1/20 0.56
▸ FES P07332 1/20 0.56
▸ CSF1R P07333 1/20 0.56
▸ YES1 P07947 1/20 0.56

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
SCHEMBL22821782 0.93 EGFR (0.80) EGFR
SCHEMBL22821709 0.92 EGFR (0.71) EGFRINSRIGF1RALKCHEK1
SCHEMBL28908567 0.89 EGFR (0.54) EGFRINSRIGF1RALKCHEK1
SCHEMBL22025673 0.89 EGFR (0.85) EGFRINSRIGF1RALK
SCHEMBL22821739 0.89 EGFR (0.80) EGFRINSRIGF1RALK
SCHEMBL22821832 0.88 EGFR (0.72) EGFRINSRIGF1RALKCHEK1
SCHEMBL26906526 0.88 EGFR (0.85) EGFRINSRIGF1RALK
SCHEMBL22028077 0.86 EGFR (0.76) EGFRINSRIGF1RALKCHEK1
SCHEMBL22951247 0.85 EGFR (0.76) EGFRINSRIGF1RALKBTK
SCHEMBL22025654 0.85 EGFR (0.86) EGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112513029-B Nitrogen-containing aryl phosphorus oxide derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-10-24 — — CN disclosed
WO-2020253862-A1 NITROGEN-CONTAINING ARYL PHOSPHORUS OXIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-24 — — WO disclosed
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