SCHEMBL11591

SCHEMBL11591

NCCc1cc2cccc(Cl)c2nc1N1CCNC(=O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCH P24723 1/20 0.37
PRKCE Q02156 1/20 0.37
PIK3CD O00329 3/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PRMT5 O14744 1/20 0.35
KDM4E B2RXH2 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
OGFRL1 Q5TC84 2/20 0.33
IKBKB O14920 1/20 0.33
OPRD1 P41143 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 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
SCHEMBL718113 0.91 PRKCH (0.38) PRKCHPRKCEPIK3CDPDE4APDE4B
SCHEMBL10081 0.84 PIK3CD (0.42) PRKCHPRKCEPIK3CDPDE4APDE4B
SCHEMBL17530776 0.82 PIK3CD (0.47) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL714424 0.80 PIK3CD (0.42) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL11674 0.79 PRKCH (0.37) PRKCHPRKCEPIK3CDPDE4APDE4B
SCHEMBL11673 0.79 PRKCH (0.37) PRKCHPRKCEPIK3CDPDE4APDE4B
SCHEMBL716764 0.78 PIK3CD (0.48) PRKCHPRKCEPIK3CDKDM4EDPP4
SCHEMBL718038 0.78 PIK3CD (0.35) PRKCHPRKCEPIK3CDPDE4APDE4B
SCHEMBL17530777 0.74 PRKCH (0.35) PRKCHPRKCEPDE4APDE4BPDE4C
SCHEMBL713514 0.74 PIK3CD (0.48) PRKCHPRKCEPIK3CDKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499129-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-09-19 EP disclosed
WO-2011058108-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed