SCHEMBL30445504

SCHEMBL30445504

Cc1nc(COc2ccccn2)sc1-c1csc(-c2cc(F)c(O)c(F)c2F)n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPGM P07738 5/20 0.80
KDM4E B2RXH2 5/20 0.36
RAB9A P51151 5/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 4/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
DYRK3 O43781 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
ROS1 P08922 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
MARK3 P27448 1/20 0.36
AKT1 P31749 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
CLK2 P49760 1/20 0.36

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
SCHEMBL24347962 1.00 BPGM (0.80) BPGMKDM4ERAB9AALDH1A1MAPK1
SCHEMBL24348049 0.93 BPGM (0.68) BPGMKDM4ERAB9AALDH1A1MAPK1
SCHEMBL24348025 0.89 BPGM (0.74) BPGMKDM4ERAB9AALDH1A1MAPK1
SCHEMBL24348945 0.89 BPGM (0.62) BPGMKDM4ERAB9AALDH1A1MAPK1
SCHEMBL24347958 0.89 BPGM (1.00) BPGMKDM4ERAB9AALDH1A1MAPK1
SCHEMBL24349256 0.86 BPGM (0.59) BPGMKDM4ERAB9AALDH1A1MAPK1
SCHEMBL24348487 0.85 BPGM (0.57) BPGMKDM4EMAPK1MAPTCDC7
SCHEMBL24349247 0.84 BPGM (0.56) BPGMKDM4ERAB9AALDH1A1MAPK1
SCHEMBL24348018 0.82 BPGM (0.87) BPGMKDM4ERAB9AALDH1A1MAPK1
SCHEMBL24349242 0.81 BPGM (0.73) BPGMKDM4ERAB9AALDH1A1MAPK1

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