SCHEMBL30445133

SCHEMBL30445133

Cc1cnc(OCc2nc(C)c(-c3cccc(-c4cc(F)c5nn[nH]c5c4F)n3)s2)nc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPGM P07738 6/20 0.75
KDM4E B2RXH2 1/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
ROS1 P08922 1/20 0.33
MAPT P10636 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
MARK3 P27448 1/20 0.33
MAPK1 P28482 1/20 0.33
AKT1 P31749 1/20 0.33
MAPK9 P45984 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
CLK2 P49760 1/20 0.33
IRAK1 P51617 1/20 0.33
NEK2 P51955 1/20 0.33

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
SCHEMBL24347961 1.00 BPGM (0.75) BPGMKDM4ECDC7PLK4DYRK3
SCHEMBL24348974 0.93 BPGM (0.64) BPGMKDM4ECDC7PLK4DYRK3
SCHEMBL26704333 0.92 BPGM (0.64) BPGMKDM4ECDC7PLK4DYRK3
SCHEMBL24348427 0.88 BPGM (0.57) BPGMKDM4ECDC7PLK4DYRK3
SCHEMBL24348972 0.88 BPGM (0.58) BPGMKDM4ECDC7PLK4DYRK3
SCHEMBL24349036 0.85 BPGM (0.54) BPGMKDM4ECDC7PLK4DYRK3
SCHEMBL24349035 0.85 BPGM (0.57) BPGMKDM4ECDC7PLK4DYRK3
SCHEMBL24348480 0.85 BPGM (0.59) BPGMKDM4ECDC7PLK4DYRK3
SCHEMBL24349255 0.84 BPGM (0.54) BPGMKDM4ECDC7PLK4DYRK3
SCHEMBL24348499 0.84 BPGM (0.52) BPGM

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-116406361-A Compounds as modulators of phosphoglycerate mutase for the treatment of sickle cell disease 健赞公司 2023-07-07 CN disclosed