SCHEMBL7360223

SCHEMBL7360223

O=C(O)c1ccc(-c2n[nH]c(=O)c3cccnc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 5/20 0.56
MAPK1 P28482 4/20 0.51
MAPK6 Q16659 3/20 0.51
MAPKAPK3 Q16644 2/20 0.51
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ROCK2 O75116 6/20 0.48
ROCK1 Q13464 5/20 0.48
CAMKK2 Q96RR4 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PARP1 P09874 2/20 0.46

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
SCHEMBL7362195 0.90 MAP2K4 (0.57) MAP2K4MAPK1MAPK6MAPKAPK3NCOA1
SCHEMBL7367837 0.88 MAP2K4 (0.52) MAP2K4MAPK1MAPK6MAPKAPK3NCOA1
SCHEMBL1251253 0.86 NPSR1 (0.67) ATMNPSR1ROCK2ROCK1KDM4E
SCHEMBL7364011 0.85 MAPK1 (0.73) MAP2K4MAPK1NCOA1NCOA3ROCK2
SCHEMBL12326463 0.83 ATM (0.72) MAP2K4MAPK1NCOA1NCOA3ATM
SCHEMBL7369415 0.82 ATM (0.49) MAP2K4MAPK1MAPK6MAPKAPK3NCOA1
SCHEMBL1251585 0.81 NPSR1 (0.51) MAPK1NCOA1NCOA3ATMNPSR1
SCHEMBL2887372 0.78 KDM4E (0.54) MAPK1ATMNPSR1ROCK2ROCK1
SCHEMBL7362532 0.78 MAP2K4 (0.53) MAP2K4MAPK1MAPK6MAPKAPK3NCOA1
SCHEMBL1252788 0.76 IDO1 (0.55) MAP2K4ATMNPSR1ROCK2ROCK1

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