SCHEMBL4722829

SCHEMBL4722829

CCc1cccc(CC)c1-n1nc(-c2cc(C)cc(-c3cnco3)c2)c2cccnc2c1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
IMPDH2 P12268 3/20 0.32
TBXAS1 P24557 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
NAMPT P43490 2/20 0.31
NPEPPS P55786 1/20 0.31
IMPDH1 P20839 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
TACR1 P25103 1/20 0.30

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
SCHEMBL4724438 0.90 L3MBTL1 (0.34) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4721827 0.88 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4719128 0.88 L3MBTL1 (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4723604 0.88 MEN1 (0.34) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4722814 0.87 MEN1 (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4722676 0.86 PDE4A (0.32) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4723938 0.84 MEN1 (0.34) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4723628 0.84 MEN1 (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4720525 0.82 CCR9 (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4719259 0.80 L3MBTL1 (0.33) L3MBTL1LMNAPKMIMPDH2JAK2

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed