SCHEMBL22821900

SCHEMBL22821900

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2cc3nccnc3cc2P(C)(C)=O)n1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.80
▸ INSR P06213 1/20 0.68
▸ IGF1R P08069 1/20 0.68
▸ ALK Q9UM73 1/20 0.68

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
SCHEMBL30216884 0.91 EGFR (0.78) EGFRINSRIGF1RALK
SCHEMBL24179305 0.91 EGFR (0.78) EGFRINSRIGF1RALK
Water SCHEMBL28998104 0.91 EGFR (0.77) EGFRINSRIGF1RALK
SCHEMBL24179046 0.89 EGFR (0.74) EGFRINSRIGF1RALK
SCHEMBL22025688 0.89 EGFR (1.00) EGFR
SCHEMBL30381642 0.89 EGFR (1.00) EGFR
SCHEMBL24179101 0.89 INSR (0.74) EGFRINSRIGF1RALK
SCHEMBL24179086 0.89 EGFR (0.74) EGFRINSRIGF1RALK
SCHEMBL23260553 0.88 EGFR (0.73) EGFRINSRIGF1RALK
SCHEMBL27091531 0.88 EGFR (0.71) EGFRINSRIGF1RALK

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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