SCHEMBL22827036

SCHEMBL22827036

CCc1cc(Nc2ncc(Cl)c(Nc3ccc4c(c3P(C)(C)=O)OCCO4)n2)c(OC)cc1N1CCC(N2CC(N(C)C)C2)CC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.86
▸ CHEK1 O14757 1/20 0.63
▸ AURKA O14965 1/20 0.63
▸ CCNT1 O60563 1/20 0.63
▸ JAK2 O60674 1/20 0.63
▸ RET P07949 1/20 0.63
▸ MET P08581 1/20 0.63
▸ ROS1 P08922 1/20 0.63
▸ PDGFRB P09619 1/20 0.63
▸ KIT P10721 1/20 0.63
▸ PIM1 P11309 1/20 0.63
▸ PDGFRA P16234 1/20 0.63
▸ FER P16591 1/20 0.63
▸ EPHA1 P21709 1/20 0.63
▸ MAPK3 P27361 1/20 0.63
▸ EPHB2 P29323 1/20 0.63
▸ AXL P30530 1/20 0.63
▸ MAPK8 P45983 1/20 0.63
▸ CDK9 P50750 1/20 0.63
▸ PKD1 P98161 1/20 0.63

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
SCHEMBL22827195 0.93 EGFR (1.00) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL22826796 0.93 EGFR (0.86) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL22826806 0.92 EGFR (0.81) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL22826815 0.92 EGFR (0.84) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL22826809 0.92 EGFR (0.84) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL22804231 0.89 EGFR (0.69) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL29682671 0.89 EGFR (0.69) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL24538614 0.89 EGFR (0.86) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL22827191 0.89 EGFR (0.86) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL22827190 0.89 EGFR (0.86) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116234556-A Crystal form of aryl phosphorus oxide derivative free alkali and preparation method and application thereof 江苏豪森药业集团有限公司 2023-06-06 — — CN claimed
CN-116234556-A Crystal form of aryl phosphorus oxide derivative free alkali and preparation method and application thereof 江苏豪森药业集团有限公司 2023-06-06 — — CN disclosed
WO-2022127807-A1 CRYSTAL FORM OF ARYL PHOSPHORUS OXIDE DERIVATIVE FREE BASE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2022-06-23 — — WO disclosed
WO-2020253860-A1 ARYL PHOSPHORUS OXIDE DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏豪森药业集团有限公司 2020-12-24 — — WO disclosed
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