SCHEMBL6917821

SCHEMBL6917821

CNc1ncccc1C1=NCCN1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 16/20 0.54
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
ADRA1A P35348 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
SCHEMBL6922482 0.80 NISCH (0.54) NISCH
SCHEMBL11302206 0.77 NISCH (0.62) NISCHADRA1A
SCHEMBL6920530 0.75 NISCH (0.54) NISCH
SCHEMBL9579892 0.74 NISCH (0.81) NISCH
SCHEMBL30617425 0.74 CD274 (0.59) NISCH
SCHEMBL30980843 0.74 CD274 (0.59) NISCH
SCHEMBL8887144 0.73 NISCH (0.66) NISCHKDM4ECYP1A2ADRA1A
SCHEMBL3394014 0.71 NISCH (0.65) NISCH
SCHEMBL1626317 0.70 NISCH (1.00) NISCH
SCHEMBL9195272 0.70 NISCH (0.53) NISCHKDM4ECYP1A2

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
WO-2004043947-A1 NOVEL PYRIDINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2004-05-27 WO claimed
WO-2004043947-A1 NOVEL PYRIDINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2004-05-27 WO disclosed