SCHEMBL22804404

SCHEMBL22804404

CCc1cc(Nc2ncnc(Nc3ccc4nccnc4c3P(C)C)n2)c(OC)cc1N1CCC(CN2CCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.49
▸ INSR P06213 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ ALK Q9UM73 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ HTR7 P34969 1/20 0.40

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
SCHEMBL30626547 1.00 EGFR (0.49) EGFRINSRIGF1RALKHTR1A
SCHEMBL28529613 0.89 EGFR (0.52) EGFR
SCHEMBL28538542 0.88 EGFR (0.59) EGFR
SCHEMBL22822008 0.88 EGFR (0.64) EGFR
SCHEMBL28531358 0.87 EGFR (0.59) EGFR
SCHEMBL30626523 0.87 EGFR (0.59) EGFR
SCHEMBL28542534 0.87 EGFR (0.56) EGFR
SCHEMBL30626539 0.87 EGFR (0.51) EGFR
SCHEMBL28530485 0.87 EGFR (0.51) EGFR
SCHEMBL28542484 0.85 EGFR (0.66) 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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