SCHEMBL25449607

SCHEMBL25449607

COc1cc(N2CCOCC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc(C)cc2P(C)C)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.55
▸ ULK1 O75385 3/20 0.53
▸ JAK2 O60674 2/20 0.49
▸ CHEK1 O14757 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ CCNT1 O60563 1/20 0.49
▸ RET P07949 1/20 0.49
▸ MET P08581 1/20 0.49
▸ ROS1 P08922 1/20 0.49
▸ PDGFRB P09619 1/20 0.49
▸ KIT P10721 1/20 0.49
▸ PIM1 P11309 1/20 0.49
▸ PDGFRA P16234 1/20 0.49
▸ FER P16591 1/20 0.49
▸ EPHA1 P21709 1/20 0.49
▸ MAPK3 P27361 1/20 0.49
▸ EPHB2 P29323 1/20 0.49
▸ AXL P30530 1/20 0.49
▸ MAPK8 P45983 1/20 0.49
▸ CDK9 P50750 1/20 0.49

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
SCHEMBL24179119 0.93 EGFR (0.64) EGFRJAK2CHEK1AURKACCNT1
SCHEMBL24179405 0.91 EGFR (0.57) EGFRJAK2CHEK1AURKACCNT1
SCHEMBL31291051 0.91 EGFR (0.57) EGFRJAK2CHEK1AURKACCNT1
SCHEMBL24178905 0.88 EGFR (0.65) EGFRJAK2CHEK1AURKACCNT1
SCHEMBL30216900 0.86 EGFR (0.67) EGFRJAK2CHEK1AURKACCNT1
SCHEMBL25449097 0.86 EGFR (0.67) EGFRJAK2CHEK1AURKACCNT1
SCHEMBL24179098 0.86 EGFR (0.62) EGFRJAK2CHEK1AURKACCNT1
SCHEMBL24178916 0.83 EGFR (0.48) EGFRULK1JAK2CHEK1AURKA
SCHEMBL23172594 0.82 ULK1 (0.46) EGFRULK1JAK2MAPK8BTK
SCHEMBL25450025 0.81 EGFR (0.60) EGFRJAK2CHEK1AURKACCNT1

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
EP-4177258-A1 ARYLPHOSPHINE OXIDE COMPOUNDS AND USE THEREOF Chengdu Di'Ao Jiuhong Pharmaceutical Factory (CN) 2023-05-10 — — EP disclosed
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