SCHEMBL7360181

SCHEMBL7360181

COc1ccc(-c2ccncn2)c2c(C(N)=O)c(C(C)=O)oc12.Nc1ccncn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.37
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
PDE4A P27815 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSP90AA1 P07900 1/20 0.33
SYK P43405 1/20 0.32
AURKB Q96GD4 1/20 0.32

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
SCHEMBL7053150 0.95 AAK1 (0.40) AAK1CCNT1CCNA2CDK2CDK9
SCHEMBL7053044 0.80 PDE4A (0.41) AAK1CDK2PDE4APDE4BPDE4C
SCHEMBL7057558 0.76 PDE4B (0.48) PDE4APDE4BPDE4CPDE4DMKNK2
SCHEMBL7055258 0.74 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7056722 0.74 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7052699 0.74 IKBKB (0.45) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7052278 0.74 PDE4D (0.52) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7362735 0.73 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7051106 0.73 IKBKB (0.41) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7054012 0.72 IKBKB (0.39) PDE4APDE4BPDE4CPDE4DKDM4E

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-0901482-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-03-17 EP disclosed
WO-1997044337-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed