SCHEMBL5250434

SCHEMBL5250434

CSc1cccc(-n2c(=O)[nH]c(=O)c3cccnc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.44
PDE4D Q08499 2/20 0.44
MAPT P10636 5/20 0.43
HPGD P15428 5/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LDHA P00338 1/20 0.42
ALOX5 P09917 1/20 0.41
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4D Q6B0I6 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
FEN1 P39748 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4C Q08493 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL9496239 0.90 HPGD (0.41) PDE4BPDE4DMAPTHPGDCYP1A2
SCHEMBL5249954 0.82 HPGD (0.64) PDE4BPDE4DMAPTHPGDCYP1A2
SCHEMBL5251469 0.81 KMT2A (0.55) PDE4BPDE4DMAPTHPGDCYP1A2
SCHEMBL5251146 0.80 LDHA (0.59) PDE4BPDE4DMAPTHPGDCYP1A2
SCHEMBL9495820 0.80 MAT2A (0.46) MAPTHPGDCYP1A2CYP2C19MEN1
SCHEMBL5256357 0.78 KDM4D (0.45) PDE4BPDE4DMAPTHPGDCYP1A2
SCHEMBL5249967 0.77 PDE4A (0.57) PDE4BPDE4DMAPTHPGDCYP1A2
SCHEMBL5251614 0.77 ALDH1A1 (0.51) PDE4BPDE4DMAPTHPGDCYP1A2
SCHEMBL29837153 0.77 LDHA (0.48) PDE4BPDE4DMAPTHPGDCYP1A2
SCHEMBL9494568 0.76 TP53 (0.53) PDE4BPDE4DMAPTHPGDCYP1A2

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