SCHEMBL2903393

SCHEMBL2903393

COc1ccc(CNc2nn3c(C(=O)O)cnc3cc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ASPH Q12797 2/20 0.47
KDM8 Q8N371 2/20 0.47
RIOX2 Q8IUF8 1/20 0.47
VNN1 O95497 3/20 0.44
FYN P06241 4/20 0.43
CHRM4 P08173 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
PPARA Q07869 1/20 0.41
PDE2A O00408 1/20 0.41
CLK1 P49759 1/20 0.41
MAPT P10636 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 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
SCHEMBL1203576 0.87 DHODH (0.49) VNN1ALDH1A1HPGDPPARAMAPT
SCHEMBL1202935 0.87 P4HTM (0.47) KDM4EFYNPPARAMAPTADORA3
SCHEMBL1202234 0.85 KDM4E (0.47) KDM4EASPHKDM8RIOX2CHRM4
SCHEMBL1203014 0.85 DHODH (0.41) KDM4EFYNCHRM4ALDH1A1PKM
SCHEMBL2903422 0.83 MMP13 (0.43) VNN1FYNCHRM4PPARA
SCHEMBL1203745 0.82 PPARD (0.46) ALDH1A1HPGDMAPT
SCHEMBL1203600 0.81 FYN (0.59) KDM4EASPHKDM8RIOX2VNN1
SCHEMBL2905633 0.81 HDAC3 (0.46) FYNADORA3
SCHEMBL1203495 0.80 ALDH1A1 (0.43) VNN1ALDH1A1HPGDMAPT
SCHEMBL1202941 0.79 KMT2A (0.47) ALDH1A1PKMHPGDMAPT

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-2217601-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2010-08-18 EP disclosed
WO-2009060197-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2009-05-14 WO disclosed