SCHEMBL5562545

SCHEMBL5562545

COc1nnc(-c2ccncc2)cc1-c1cc2ccc(C=O)cc2n1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SQOR Q9Y6N5 2/20 0.34
APP P05067 1/20 0.32
CASP1 P29466 4/20 0.31
ERN1 O75460 2/20 0.31
CDC7 O00311 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
DBF4 Q9UBU7 1/20 0.31
CYP2A6 P11509 1/20 0.30
DHODH Q02127 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL5567642 0.90 SQOR (0.32) MAPTSQORAPPCASP1
SCHEMBL5567645 0.90 SQOR (0.32) MAPTSQORAPPCASP1
SCHEMBL1750386 0.88 NR1H2 (0.40) MAPTALDH1A1KDM4E
SCHEMBL5561371 0.87 ROCK1 (0.33) MAPTALDH1A1SQORCASP1CDC7
SCHEMBL5562265 0.84 SQOR (0.36) MAPTALDH1A1SQORCASP1CDC7
SCHEMBL3423349 0.81 NR1H2 (0.40) MAPTALDH1A1KDM4E
SCHEMBL5567828 0.79 KDM4E (0.40) ALDH1A1KDM4E
SCHEMBL5567692 0.79 PARP1 (0.36)
SCHEMBL1750961 0.78 NR1H2 (0.40)
SCHEMBL1750963 0.78 NR1H2 (0.40)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753743-B1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2015-03-04 EP disclosed
EP-1751141-A1 NOVEL PYRIDAZINONE DERIVATIVES AS INHIBITORS OF CDK2 Aventis Pharma S.A. (FR) 2007-02-14 EP disclosed
WO-2005111019-A1 NOVEL PYRIDAZINONE DERIVATIVES AS INHIBITORS OF CDK2 AVENTIS PHARMA S.A. (FR) 2005-11-24 WO disclosed