SCHEMBL4698455

SCHEMBL4698455

COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)c2cccnc12

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.62
PDE4A P27815 5/20 0.62
PDE4B Q07343 5/20 0.62
PDE4C Q08493 5/20 0.62
KDM4E B2RXH2 5/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ADORA2A P29274 1/20 0.47
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL4697930 0.86 PDE4A (0.70) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL4704299 0.86 PDE4A (0.61) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL4701482 0.85 KDM4E (0.71) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL4702946 0.84 PDE4A (0.67) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL4701218 0.83 PDE4D (0.78) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL4701160 0.82 PDE4A (0.72) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL4702655 0.77 PDE4A (1.00) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL4699354 0.76 PDE4A (0.70) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL4699784 0.76 PDE4A (0.80) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL3039060 0.76 KDM4E (0.61) KDM4ERAB9AMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP claimed
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP disclosed
EP-0952832-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS Darwin Discovery Limited (GB) 1999-11-03 EP disclosed
WO-1997044036-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed