SCHEMBL7365583

SCHEMBL7365583

COC(=O)c1cccc(-c2n[nH]c(=O)c3cccnc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
NEK1 Q96PY6 4/20 0.46
GPR119 Q8TDV5 1/20 0.46
TTK P33981 1/20 0.44
MAPK8 P45983 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAP2K4 P45985 2/20 0.44
CDK8 P49336 1/20 0.44
AXL P30530 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
SLC40A1 Q9NP59 1/20 0.43
MAPKAPK3 Q16644 1/20 0.43
MAPK6 Q16659 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
MAP2K1 Q02750 1/20 0.41

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
SCHEMBL7362607 0.92 MAPK1 (0.53) MAPK1NEK1GPR119TTKMAPK8
SCHEMBL7364011 0.87 MAPK1 (0.73) MAPK1ALDH1A1HPGDMAP2K4KDM4E
SCHEMBL7361976 0.82 MAPK1 (0.50) MAPK1ALDH1A1HPGDPDE4APDE4B
SCHEMBL7370355 0.81 PDE4A (0.48) TTKALDH1A1PDE4APDE4BPDE4C
SCHEMBL15908003 0.79 PARP1 (0.57)
SCHEMBL1252689 0.79 PARP1 (0.43) TTKMAPK8ALDH1A1PDE4APDE4B
SCHEMBL7368649 0.79 MAPK1 (0.70) MAPK1ALDH1A1HPGDMAP2K4MAP2K1
SCHEMBL1249841 0.77 AURKA (0.54) ALDH1A1AXLPDE4APDE4BPDE4C
SCHEMBL7366347 0.77 PARP1 (0.46) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7370628 0.77 PDE4A (0.52) ALDH1A1HPGDPDE4APDE4BPDE4C

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