SCHEMBL2462672

SCHEMBL2462672

Nc1cc(-n2cccn2)nc(-n2cccn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
ADORA2A P29274 9/20 0.49
ADORA1 P30542 2/20 0.49
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
G6PD P11413 1/20 0.44
KMT2A Q03164 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 1/20 0.43
TDO2 P48775 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 2/20 0.39
MAPK1 P28482 1/20 0.39
NLRP3 Q96P20 1/20 0.38
NOTUM Q6P988 1/20 0.38
GLA P06280 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
SCHEMBL10027698 0.79 ALDH1A1 (0.59) KDM4EALDH1A1ADORA2AADORA1LMNA
SCHEMBL405843 0.79 ALDH1A1 (0.59) KDM4EALDH1A1ADORA2AADORA1LMNA
SCHEMBL2715150 0.79 GRM5 (0.46) KDM4EALDH1A1ADORA2AADORA1LMNA
SCHEMBL1489646 0.77 ADORA2A (0.55) KDM4EALDH1A1ADORA2AADORA1LMNA
SCHEMBL14955783 0.77 NOTUM (0.48) KDM4EALDH1A1ADORA2AADORA1LMNA
SCHEMBL23190294 0.76 SMN1; SMN2 (0.47) KDM4EALDH1A1ADORA2AADORA1MAPT
SCHEMBL20416864 0.76 KDM4E (0.46) KDM4EALDH1A1ADORA2AADORA1LMNA
SCHEMBL14009584 0.76 ADORA2A (0.54) KDM4EALDH1A1ADORA2AADORA1LMNA
SCHEMBL26892481 0.76 ADORA2A (0.54) KDM4EALDH1A1ADORA2AADORA1LMNA
SCHEMBL199306 0.76 ALDH1A1 (0.65) KDM4EALDH1A1ADORA2AADORA1LMNA

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-2053049-B1 Preparation of 2' , 6' -di-pyrazolyl-pyridine containing a reactive group R in 4' position KARLSRUHER INST TECHNOLOGIE (DE) 2011-09-21 EP disclosed
EP-2053049-B1 Preparation of 2' , 6' -di-pyrazolyl-pyridine containing a reactive group R in 4' position KARLSRUHER INST TECHNOLOGIE (DE) 2011-09-21 EP disclosed
EP-2053049-A1 Preparation of 2' , 6' -di-pyrazolyl-pyridine containing a reactive group R in 4' position Forschungszentrum Karlsruhe GmbH (DE) 2009-04-29 EP disclosed
EP-2053049-A1 Preparation of 2' , 6' -di-pyrazolyl-pyridine containing a reactive group R in 4' position Forschungszentrum Karlsruhe GmbH (DE) 2009-04-29 EP disclosed