SCHEMBL6920530

SCHEMBL6920530

Nc1ncccc1C1=NCCN1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 13/20 0.54
PDCD1LG2 Q9BQ51 1/20 0.42
CD274 Q9NZQ7 1/20 0.42

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
SCHEMBL9579892 0.78 NISCH (0.81) NISCH
SCHEMBL80782 0.78 NISCH (0.62) NISCH
Bromide SCHEMBL82800 0.76 NISCH (0.61) NISCH
SCHEMBL8887144 0.76 NISCH (0.66) NISCH
Hydrochloric Acid SCHEMBL11299051 0.75 NISCH (0.59) NISCH
SCHEMBL3394014 0.75 NISCH (0.65) NISCHPDCD1LG2CD274
SCHEMBL30617425 0.75 CD274 (0.59) NISCHPDCD1LG2CD274
SCHEMBL30980843 0.75 CD274 (0.59) NISCHPDCD1LG2CD274
SCHEMBL6917821 0.75 NISCH (0.54) NISCH
SCHEMBL9195272 0.73 NISCH (0.53) NISCH

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
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
EP-0046446-A1 Polyazaheterocyclic compounds, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1982-02-24 EP disclosed