SCHEMBL7370208

SCHEMBL7370208

CC(C)n1nc(-c2cccc(Cl)c2)c2cccnc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.53
PDE4D Q08499 6/20 0.53
PDE4C Q08493 5/20 0.53
PDE4B Q07343 3/20 0.53
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
KDM5B Q9UGL1 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RORB Q92753 1/20 0.39
ADORA1 P30542 1/20 0.39
PGR P06401 1/20 0.39
HTT P42858 1/20 0.38
JAK2 O60674 1/20 0.38
GLO1 Q04760 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 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
SCHEMBL7363890 0.91 PDE4A (0.61) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7365433 0.86 ADORA1 (0.39) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7366042 0.84 PIK3CD (0.50) PDE4APDE4DPDE4CPDE4BKDM5B
SCHEMBL7360186 0.81 PDE4A (0.61) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7364392 0.80 KDM4E (0.51) KDM5BHSD17B10HTTHPGD
SCHEMBL7370597 0.80 L3MBTL1 (0.50) CYP2C9ADORA1MAPTCYP2C19KMT2A
SCHEMBL7370212 0.79 PDE4A (0.59) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7361593 0.79 NPSR1 (0.53) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7367860 0.77 HTT (0.47) CYP1A2HSD17B10HTTGLO1HPGD
SCHEMBL7370601 0.77 SRC (0.46) ADORA1MAPTHPGD

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-0612321-B1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX INC (US) 1999-08-25 EP disclosed
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
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