SCHEMBL2931443

SCHEMBL2931443

CSc1nccc(-c2cc(C#N)c(Cl)nc2-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.53
CYP1A2 P05177 4/20 0.53
CYP2C9 P11712 4/20 0.53
CYP2C19 P33261 4/20 0.53
CSNK1E P49674 1/20 0.49
KDM4E B2RXH2 5/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.45
CNR1 P21554 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
POLB P06746 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL2935037 0.89 MAPK14 (0.47) NPSR1CYP1A2CYP2C9CYP2C19CSNK1E
SCHEMBL2929905 0.86 L3MBTL1 (0.47) NPSR1CYP1A2CYP2C9CYP2C19CSNK1E
SCHEMBL2929605 0.86 MAPK14 (0.41) NPSR1CYP1A2CYP2C9CYP2C19CSNK1E
SCHEMBL4051659 0.84 LMNA (0.43) NPSR1CYP1A2CYP2C9CYP2C19CSNK1E
SCHEMBL13498508 0.77 NPSR1 (0.69) NPSR1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL2926388 0.76 MAPK14 (0.53) NPSR1CSNK1EKDM4EL3MBTL1MAPK1
SCHEMBL1384932 0.74 ADORA2A (0.45) NPSR1CSNK1EKDM4EL3MBTL1MAPK1
SCHEMBL2934339 0.73 MAPK14 (0.41) NPSR1KDM4EL3MBTL1MAPK1LMNA
SCHEMBL2834708 0.73 NPSR1 (0.68) NPSR1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL1939380 0.73 NPSR1 (0.68) NPSR1CYP1A2CYP2C9CYP2C19KDM4E

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-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 EP disclosed
CN-100354275-C Pyrazolopyridine derivates URIACH Y COMPAGNIA S A J (ES) 2007-12-12 CN disclosed
CN-1753894-A Pyrazolopyridine derivates URIACH Y COMPAGNIA S A J (ES) 2006-03-29 CN disclosed