SCHEMBL4554153

SCHEMBL4554153

NC(=O)c1ccc2c(c1)N=Cc1c(cccc1-c1cccc(F)c1)S2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
CHEK2 O96017 3/20 0.42
PARP1 P09874 1/20 0.42
PLK4 O00444 2/20 0.39
AURKA O14965 2/20 0.39
DAPK3 O43293 2/20 0.39
CDK1 P06493 2/20 0.39
PIM1 P11309 2/20 0.39
CDK2 P24941 2/20 0.39
FLT4 P35916 2/20 0.39
KDR P35968 2/20 0.39
MAPK9 P45984 2/20 0.39
CSNK1D P48730 2/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
PLK1 P53350 2/20 0.39
CSNK2A1 P68400 2/20 0.39
DYRK1A Q13627 2/20 0.39
AURKB Q96GD4 2/20 0.39
PLK3 Q9H4B4 2/20 0.39

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
SCHEMBL4808618 0.81 CHEK2 (0.43) CHEK2PARP1KDRPLECMAP4K4
SCHEMBL4147214 0.79 PARP1 (0.40) CHEK2PARP1CDK1CDK2CNR1
SCHEMBL30587300 0.72 TRPA1 (0.57) PARP1MAPK1CNR1PLEC
SCHEMBL4846982 0.69 CNR1 (0.45) CHEK2PARP1CDK2FYNCNR1
SCHEMBL13808243 0.68 CNR1 (0.57) CNR1PLECKDM4ESMN1; SMN2
SCHEMBL4159476 0.67 PARP1 (0.78) HPGDSCHEK2PARP1FYNMAP4K4
SCHEMBL30958375 0.65 CHEK2 (0.67) HPGDSCHEK2PARP1FYNNQO2
SCHEMBL15547657 0.65 CHEK2 (0.67) HPGDSCHEK2PARP1FYNNQO2
SCHEMBL4145291 0.65 POLB (0.44) CNR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL13808000 0.64 CNR1 (0.61) CNR1KDM4ESMN1; SMN2

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
WO-2009075691-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2009-06-18 WO disclosed