SCHEMBL7367535

SCHEMBL7367535

COc1cccc(-c2nn(-c3ccccc3)c(=O)c3cccnc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
ADORA3 P0DMS8 3/20 0.51
KAT2B Q92831 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BRAF P15056 1/20 0.46
MAPK14 Q16539 1/20 0.46
TOP1 P11387 1/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL7359895 0.91 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL9175293 0.90 KDM4E (0.49) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL7361949 0.87 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL9168570 0.84 NPSR1 (0.56) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL7363279 0.83 GRM5 (0.48) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL7359405 0.83 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7363973 0.83 NPSR1 (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7366870 0.82 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DKAT2B
SCHEMBL9171183 0.81 NPSR1 (0.58) PDE4APDE4BPDE4CPDE4DKAT2B
SCHEMBL7365100 0.81 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DADORA3

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-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed