SCHEMBL22804399

SCHEMBL22804399

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccn3ccnc3c2P(C)C)n1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.63
▸ INSR P06213 1/20 0.55
▸ IGF1R P08069 1/20 0.55
▸ ALK Q9UM73 1/20 0.55

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
SCHEMBL22804364 0.91 EGFR (0.60) EGFRINSRIGF1RALK
SCHEMBL22822010 0.89 EGFR (0.76) EGFRINSRIGF1RALK
SCHEMBL24178909 0.89 EGFR (0.65) EGFRINSRIGF1RALK
SCHEMBL22804402 0.88 EGFR (0.63) EGFRINSRIGF1RALK
SCHEMBL24605929 0.87 INSR (0.50) EGFRINSRIGF1RALK
SCHEMBL24606019 0.87 EGFR (0.51) EGFRINSRIGF1RALK
SCHEMBL22025925 0.86 EGFR (0.79) EGFR
SCHEMBL24954018 0.85 EGFR (0.64) EGFRINSRIGF1RALK
SCHEMBL23759671 0.85 EGFR (0.71) EGFRINSRIGF1RALK
SCHEMBL29084167 0.84 EGFR (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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