SCHEMBL9844258

SCHEMBL9844258

CCCCc1nc2ccccc2c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.69
PDE4B Q07343 1/20 0.69
PDE4C Q08493 1/20 0.69
PDE4D Q08499 1/20 0.69
PPARG P37231 1/20 0.66
AGTR1 P30556 1/20 0.55
AGTR2 P50052 1/20 0.55

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
SCHEMBL9843785 0.88 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL9843833 0.87 PPARG (0.61) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL9427928 0.87 PPARG (0.54) PPARG
SCHEMBL9197325 0.86 PPARG (0.88) PPARGAGTR1AGTR2
SCHEMBL9843803 0.85 PPARG (0.58) PPARGAGTR1
SCHEMBL9843820 0.84 PPARG (0.57) PPARGAGTR1
SCHEMBL9313877 0.84 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL9851543 0.84 AGTR1 (0.66) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL9402036 0.84 PPARG (0.66) PPARGAGTR1AGTR2
SCHEMBL1894638 0.83 PPARG (0.56) PPARGAGTR1

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
EP-0407342-A2 Pyrimidine derivatives CIBA-GEIGY AG (CH) 1991-01-09 EP disclosed