SCHEMBL22822010

SCHEMBL22822010

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

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.76
▸ INSR P06213 1/20 0.64
▸ IGF1R P08069 1/20 0.64
▸ ALK Q9UM73 1/20 0.64

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
SCHEMBL22595126 0.92 EGFR (0.77) EGFR
SCHEMBL22821823 0.91 EGFR (0.72) EGFRINSRIGF1RALK
SCHEMBL22822013 0.91 EGFR (0.77) EGFR
SCHEMBL22821817 0.90 EGFR (0.77) EGFRINSRIGF1RALK
SCHEMBL24178906 0.90 EGFR (0.79) EGFRINSRIGF1RALK
SCHEMBL22822088 0.89 EGFR (0.72) EGFRINSRIGF1RALK
SCHEMBL22804399 0.89 EGFR (0.63) EGFRINSRIGF1RALK
SCHEMBL22822099 0.88 EGFR (0.74) EGFRINSRIGF1RALK
SCHEMBL26630881 0.87 EGFR (0.60) EGFRINSRIGF1RALK
SCHEMBL29710725 0.87 EGFR (0.58) 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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