SCHEMBL7366097

SCHEMBL7366097

CCc1c(C)c2ccc(C(=O)Nc3ccncn3)cc2n1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 5/20 0.43
RPS6KA2 Q15349 1/20 0.43
MAPKAPK2 P49137 1/20 0.41
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
NAMPT P43490 1/20 0.40
MAPT P10636 2/20 0.39
CDK4 P11802 1/20 0.39
CDK6 Q00534 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
STAT3 P40763 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PIK3CA P42336 1/20 0.38
SSTR2 P30874 1/20 0.37
HPGD P15428 1/20 0.36
CDK5 Q00535 1/20 0.36

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
SCHEMBL7397784 0.81 PDE4A (0.64) PDE4APDE4BPDE4CPDE4D
SCHEMBL7396922 0.78 L3MBTL1 (0.52) ALDH1A1GAARAB9A
SCHEMBL7359487 0.77 ALDH1A1 (0.47) CDK4CDK6ALDH1A1LMNAHPGD
SCHEMBL1553311 0.74 PDE4A (0.68) GNRHRRPS6KA2MAPKAPK2PDE4APDE4B
SCHEMBL1553312 0.73 PDE4A (0.44) GNRHRRPS6KA2MAPKAPK2PDE4APDE4B
SCHEMBL7397412 0.71 L3MBTL1 (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7984070 0.67 MAPT (0.46) RPS6KA2MAPTALDH1A1LMNATDP1
SCHEMBL7416384 0.66 MAPT (0.51) RPS6KA2PDE4APDE4BPDE4CPDE4D
SCHEMBL4237041 0.65 POLB (0.63) NAMPTALDH1A1HPGDRAB9A
SCHEMBL7414376 0.65 PDE4D (0.66) PDE4APDE4BPDE4CPDE4D

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-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP claimed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 WO claimed
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 WO disclosed