SCHEMBL7511005

SCHEMBL7511005

Fc1cccc2c(NC3CC3c3ccccc3)ccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.47
MAOA P21397 8/20 0.47
MAOB P27338 8/20 0.47
PRKD3 O94806 2/20 0.40
MAP4K4 O95819 2/20 0.40
CDK1 P06493 2/20 0.40
CSF1R P07333 2/20 0.40
CDK2 P24941 2/20 0.40
FLT4 P35916 2/20 0.40
CLK2 P49760 2/20 0.40
MAPK12 P53778 2/20 0.40
CSNK2A1 P68400 2/20 0.40
CDK5 Q00535 2/20 0.40
STK3 Q13188 2/20 0.40
TAOK1 Q7L7X3 2/20 0.40
PIM3 Q86V86 2/20 0.40
HIPK4 Q8NE63 2/20 0.40
AURKB Q96GD4 2/20 0.40
HIPK2 Q9H2X6 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40

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
SCHEMBL7510331 0.80 HTR1A (0.47) KDM1AMAOAMAOBMKNK2EGFR
Hydrochloric Acid SCHEMBL23359792 0.70 AURKA (0.43) PRKD3MAP4K4CDK1CSF1RCDK2
SCHEMBL21893492 0.70 SLC40A1 (0.52) PRKD3MAP4K4CDK1CSF1RCDK2
SCHEMBL15209925 0.70 PRKD3 (0.50) PRKD3MAP4K4CDK1CSF1RCDK2
Hydrochloric Acid SCHEMBL23360087 0.68 RPS6KB1 (0.45) MAOBPRKD3MAP4K4CDK1CSF1R
Hydrochloric Acid SCHEMBL23360085 0.68 RPS6KB1 (0.45) MAOBPRKD3MAP4K4CDK1CSF1R
SCHEMBL7504497 0.68 LMNA (0.56) PRKD3MAP4K4CDK1CSF1RCDK2
SCHEMBL528512 0.67 RPS6KB1 (0.64) AKT1RPS6KB1
SCHEMBL23360516 0.67 CDK2 (0.43) PRKD3MAP4K4CDK1CSF1RCDK2
SCHEMBL23360514 0.67 CDK2 (0.43) PRKD3MAP4K4CDK1CSF1RCDK2

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-0326331-B1 Substituted quinolines and cinnolines DOW AGROSCIENCES LLC (US) 2002-04-17 EP disclosed