SCHEMBL28998107

SCHEMBL28998107

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc(C)cc2OP(OC)OC)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.66
▸ INSR P06213 1/20 0.56
▸ IGF1R P08069 1/20 0.56
▸ ALK Q9UM73 1/20 0.56
▸ CHEK1 O14757 1/20 0.53
▸ AURKA O14965 1/20 0.53
▸ CCNT1 O60563 1/20 0.53
▸ JAK2 O60674 1/20 0.53
▸ RET P07949 1/20 0.53
▸ MET P08581 1/20 0.53
▸ ROS1 P08922 1/20 0.53
▸ PDGFRB P09619 1/20 0.53
▸ KIT P10721 1/20 0.53
▸ PIM1 P11309 1/20 0.53
▸ PDGFRA P16234 1/20 0.53
▸ FER P16591 1/20 0.53
▸ EPHA1 P21709 1/20 0.53
▸ MAPK3 P27361 1/20 0.53
▸ EPHB2 P29323 1/20 0.53
▸ AXL P30530 1/20 0.53

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
Water SCHEMBL28998115 0.99 EGFR (0.65) EGFRINSRIGF1RALKCHEK1
SCHEMBL30216900 0.88 EGFR (0.67) EGFRINSRIGF1RALKCHEK1
SCHEMBL25449097 0.88 EGFR (0.67) EGFRINSRIGF1RALKCHEK1
SCHEMBL30216897 0.88 EGFR (0.69) EGFRINSRIGF1RALKCHEK1
SCHEMBL30286089 0.88 EGFR (0.65) EGFRINSRIGF1RALKCHEK1
SCHEMBL28998102 0.88 EGFR (0.65) EGFRINSRIGF1RALKCHEK1
Water SCHEMBL30286116 0.87 EGFR (0.64) EGFRINSRIGF1RALKCHEK1
Water SCHEMBL28998109 0.87 EGFR (0.64) EGFRINSRIGF1RALKCHEK1
SCHEMBL24179047 0.87 EGFR (0.65) EGFRINSRIGF1RALKCHEK1
SCHEMBL26906530 0.86 EGFR (0.67) EGFRINSRIGF1RALKCHEK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115716850-A Crystal form, preparation method and application of aryl phosphorus oxide compound 成都地奥九泓制药厂 2023-02-28 — — CN claimed
CN-115716850-A Crystal form, preparation method and application of aryl phosphorus oxide compound 成都地奥九泓制药厂 2023-02-28 — — CN disclosed
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