SCHEMBL5336784

SCHEMBL5336784

CNc1c(C#N)cncc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 11/20 0.54
PRKCD Q05655 1/20 0.54
LRRK2 Q5S007 2/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADORA1 P30542 3/20 0.41
ADORA2A P29274 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
SCHEMBL5338888 0.84 PRKCQ (0.50) PRKCQPRKCDLRRK2CYP11B1CYP11B2
SCHEMBL7219741 0.77 CYP11B1 (0.44) PRKCQPRKCDLRRK2CYP11B1CYP11B2
SCHEMBL5329333 0.76 ADORA2A (0.46) PRKCQPRKCDLRRK2CYP11B1CYP11B2
SCHEMBL7220037 0.72 ADORA1 (0.49) CYP1A2CYP2C9CYP2C19NPSR1ADORA1
SCHEMBL169815 0.72 CYP11B1 (0.49) CYP11B1CYP11B2ALOX15CYP1A2CYP2C9
SCHEMBL2978375 0.72 KDM5A (0.40) PRKCQPRKCDLRRK2CYP11B1CYP11B2
SCHEMBL1146097 0.72 CYP1A2 (0.57) LRRK2CYP11B1CYP11B2CYP1A2CYP2C9
SCHEMBL7215513 0.72 ATR (0.50) LRRK2CYP11B1CYP11B2CYP1A2CYP2C9
SCHEMBL1922370 0.69 PRKCQ (0.39) PRKCQPRKCDCYP11B1CYP11B2
SCHEMBL1921036 0.69 CYP11B1 (0.39) PRKCQCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007029062-A2 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-15 WO claimed