SCHEMBL4770645

SCHEMBL4770645

CS(=O)(=O)Cc1cccc(NC2=NC(=O)C(=Cc3cccc4cccnc34)S2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.39
KDR P35968 14/20 0.37
MAPT P10636 1/20 0.37
CCNT1 O60563 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CDK9 P50750 2/20 0.36
RET P07949 2/20 0.36
FLT1 P17948 2/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
PKMYT1 Q99640 1/20 0.35
GLO1 Q04760 1/20 0.35
MET P08581 1/20 0.34

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
SCHEMBL4774422 0.91 CYP2C9 (0.36) KDRMAPTGLO1
SCHEMBL2788319 0.85 PIK3CD (0.43) NEK2KDRMAPTCCNT1CCNE1
SCHEMBL2788317 0.85 PIK3CD (0.43) NEK2KDRMAPTCCNT1CCNE1
SCHEMBL4765880 0.82 ROCK1 (0.43) CCNT1CCNE1CDK2CDK9
SCHEMBL2788315 0.76 PIK3CD (0.45) MAPTCCNT1CCNE1CDK2CDK9
SCHEMBL2788312 0.76 PIK3CD (0.45) MAPTCCNT1CCNE1CDK2CDK9
SCHEMBL4765576 0.74 CHKA (0.41) MAPTCCNT1CDK9PDGFRBPDGFRA
SCHEMBL4775747 0.73 GPR84 (0.38)
SCHEMBL4768062 0.72 DYRK3 (0.38) KDRMAPT
SCHEMBL4776063 0.72 NQO1 (0.43) MAPTCCNT1CDK9

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
EP-1567112-B1 THIAZOLIDIN-4-ONES FOR INHIBITING hYAK3 PROTEINS SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP claimed