SCHEMBL28265668

SCHEMBL28265668

O=CNc1n[nH]c(=O)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
GPX4 P36969 1/20 0.35
GSK3B P49841 1/20 0.35
PIM3 Q86V86 1/20 0.35
BRSK1 Q8TDC3 1/20 0.35
MAP4K5 Q9Y4K4 1/20 0.35
KDR P35968 2/20 0.32
AKR1B1 P15121 1/20 0.31
AR P10275 3/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL28329234 0.74
SCHEMBL31088779 0.69 NOTUM (0.40) MAP4K4PIM1GPX4GSK3BPIM3
SCHEMBL20936728 0.69 AR (0.42) ARALDH1A1KDM4ENOTUM
SCHEMBL28265674 0.68 WDR5 (0.36) PIM1PIM3AR
SCHEMBL11748390 0.66 FADS1 (0.54) GSK3BKDM4E
SCHEMBL28309019 0.66
SCHEMBL31382040 0.66 AR (0.37) MAP4K4PIM1GPX4GSK3BPIM3
SCHEMBL20906999 0.66 NOTUM (0.40) MAP4K4PIM1GPX4GSK3BPIM3
SCHEMBL20606593 0.66 HCAR2 (0.38) MAP4K4PIM1GPX4GSK3BPIM3
SCHEMBL28265669 0.64 SYK (0.38) MAP4K4PIM1GPX4GSK3BPIM3

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-109195965-A The inhibitor that WDR5 protein-protein combines 普罗佩纶治疗公司 2019-01-11 CN claimed