SCHEMBL5256357

SCHEMBL5256357

N#Cc1cccc(-n2c(=O)[nH]c(=O)c3cccnc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 2/20 0.45
PDE4B Q07343 1/20 0.44
PDE4D Q08499 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
ELANE P08246 2/20 0.43
LDHA P00338 1/20 0.42
GRM5 P41594 6/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ALOX5 P09917 1/20 0.38
MAT2A P31153 1/20 0.38

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
SCHEMBL5249954 0.82 HPGD (0.64) PDE4BPDE4DMAPTMEN1CYP1A2
SCHEMBL5251469 0.81 KMT2A (0.55) PDE4BPDE4DMAPTMEN1CYP1A2
SCHEMBL5251146 0.80 LDHA (0.59) PDE4BPDE4DMAPTMEN1CYP1A2
SCHEMBL9496949 0.80 GRM4 (0.47) KDM4DPDE4BPDE4DMAPTMEN1
SCHEMBL5250434 0.78 PDE4B (0.44) KDM4DPDE4BPDE4DMAPTMEN1
SCHEMBL2415404 0.78 PDE4B (0.47) PDE4BPDE4DMAPTELANEGRM5
SCHEMBL9495820 0.77 MAT2A (0.46) MAPTMEN1CYP1A2HPGDCYP2C19
SCHEMBL5249967 0.77 PDE4A (0.57) PDE4BPDE4DMAPTMEN1CYP1A2
SCHEMBL17463118 0.77 PDE4B (0.47) PDE4BPDE4DMAPTELANEGRM5
SCHEMBL29837153 0.77 LDHA (0.48) KDM4DPDE4BPDE4DMAPTMEN1

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-1770093-A1 Pyrido¬2,3-d|pyrimidine derivatives as phosphodiesterase inhibitors Roche Palo Alto LLC (US) 2007-04-04 EP disclosed
US-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed