SCHEMBL22821912

SCHEMBL22821912

CCc1cc(Nc2ncc(Br)c(Nc3ccn4ncnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CCOCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 1.00
▸ CHEK1 O14757 1/20 0.54
▸ AURKA O14965 1/20 0.54
▸ CCNT1 O60563 1/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ RET P07949 1/20 0.54
▸ MET P08581 1/20 0.54
▸ ROS1 P08922 1/20 0.54
▸ PDGFRB P09619 1/20 0.54
▸ KIT P10721 1/20 0.54
▸ PIM1 P11309 1/20 0.54
▸ PDGFRA P16234 1/20 0.54
▸ FER P16591 1/20 0.54
▸ EPHA1 P21709 1/20 0.54
▸ MAPK3 P27361 1/20 0.54
▸ EPHB2 P29323 1/20 0.54
▸ AXL P30530 1/20 0.54
▸ MAPK8 P45983 1/20 0.54
▸ CDK9 P50750 1/20 0.54
▸ PKD1 P98161 1/20 0.54

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
SCHEMBL22595571 0.94 EGFR (0.90) EGFR
SCHEMBL22821927 0.92 EGFR (1.00) EGFR
SCHEMBL22821754 0.90 EGFR (0.84) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL22822108 0.90 EGFR (0.84) EGFR
SCHEMBL22804313 0.89 EGFR (0.81) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL22942151 0.87 EGFR (0.77) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL22821817 0.86 EGFR (0.77) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL22595187 0.84 EGFR (0.72) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL22595126 0.84 EGFR (0.77) EGFR
SCHEMBL28736060 0.84 EGFR (0.72) EGFRCHEK1AURKACCNT1JAK2

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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