SCHEMBL31291051

SCHEMBL31291051

COc1cc(N2CCN(C)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc(C)cc2P(C)C)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.57
▸ PTK2 Q05397 2/20 0.49
▸ ALK Q9UM73 1/20 0.49
▸ CHEK1 O14757 1/20 0.48
▸ AURKA O14965 1/20 0.48
▸ CCNT1 O60563 1/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ RET P07949 1/20 0.48
▸ MET P08581 1/20 0.48
▸ ROS1 P08922 1/20 0.48
▸ PDGFRB P09619 1/20 0.48
▸ KIT P10721 1/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ FER P16591 1/20 0.48
▸ EPHA1 P21709 1/20 0.48
▸ MAPK3 P27361 1/20 0.48
▸ EPHB2 P29323 1/20 0.48
▸ AXL P30530 1/20 0.48
▸ MAPK8 P45983 1/20 0.48

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
SCHEMBL24179405 1.00 EGFR (0.57) EGFRPTK2ALKCHEK1AURKA
SCHEMBL30216900 0.93 EGFR (0.67) EGFRPTK2ALKCHEK1AURKA
SCHEMBL25449097 0.93 EGFR (0.67) EGFRPTK2ALKCHEK1AURKA
SCHEMBL25449607 0.91 EGFR (0.55) EGFRPTK2ALKCHEK1AURKA
SCHEMBL24178905 0.89 EGFR (0.65) EGFRPTK2CHEK1AURKACCNT1
SCHEMBL25450025 0.88 EGFR (0.60) EGFRPTK2ALKCHEK1AURKA
SCHEMBL24179047 0.87 EGFR (0.65) EGFRPTK2ALKCHEK1AURKA
SCHEMBL24179122 0.86 EGFR (0.47) EGFRALK
SCHEMBL24179119 0.86 EGFR (0.64) EGFRPTK2CHEK1AURKACCNT1
SCHEMBL25450645 0.86 INSR (0.59) EGFRALKPDGFRBPDGFRA

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
CN-115716850-B Crystal form, preparation method and application of aryl phosphorus oxide compound 成都地奥九泓制药厂 2024-12-13 — — CN disclosed
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