SCHEMBL24780463

SCHEMBL24780463

COc1cc(N2CCC(N3CCN(CCS(C)(=O)=O)CC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccc(C)c(C)c2P(C)(C)=O)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.66
▸ CHEK1 O14757 1/20 0.52
▸ AURKA O14965 1/20 0.52
▸ CCNT1 O60563 1/20 0.52
▸ JAK2 O60674 1/20 0.52
▸ RET P07949 1/20 0.52
▸ MET P08581 1/20 0.52
▸ ROS1 P08922 1/20 0.52
▸ PDGFRB P09619 1/20 0.52
▸ KIT P10721 1/20 0.52
▸ PIM1 P11309 1/20 0.52
▸ PDGFRA P16234 1/20 0.52
▸ FER P16591 1/20 0.52
▸ EPHA1 P21709 1/20 0.52
▸ MAPK3 P27361 1/20 0.52
▸ EPHB2 P29323 1/20 0.52
▸ AXL P30530 1/20 0.52
▸ MAPK8 P45983 1/20 0.52
▸ CDK9 P50750 1/20 0.52
▸ PKD1 P98161 1/20 0.52

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
SCHEMBL22951293 0.91 EGFR (0.67) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL22950986 0.90 EGFR (0.61) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL29558563 0.90 EGFR (0.61) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL24780479 0.89 EGFR (0.81) EGFR
SCHEMBL22950967 0.89 EGFR (0.59) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL29878069 0.88 EGFR (0.58) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL28775790 0.87 EGFR (0.64) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL22951318 0.86 EGFR (0.58) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL29558323 0.86 EGFR (0.58) EGFRCHEK1AURKACCNT1JAK2
SCHEMBL29257957 0.85 EGFR (0.50) 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-2022262857-A1 ARYLPHOSPHINE OXIDE COMPOUNDS 微境生物医药科技(上海)有限公司 2022-12-22 — — WO disclosed
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