SCHEMBL9843833

SCHEMBL9843833

CCCCc1nc2cccnc2c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.61
PDE4A P27815 2/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
AGTR1 P30556 3/20 0.51
AGTR2 P50052 3/20 0.51
ACHE P22303 1/20 0.48

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
SCHEMBL9844258 0.87 PDE4A (0.69) PPARGPDE4APDE4BPDE4CPDE4D
SCHEMBL9851543 0.87 AGTR1 (0.66) PPARGPDE4APDE4BPDE4CPDE4D
SCHEMBL9843785 0.86 PDE4A (0.70) PPARGPDE4APDE4BPDE4CPDE4D
SCHEMBL9197325 0.83 PPARG (0.88) PPARGAGTR1AGTR2
Hydrochloric Acid SCHEMBL6014139 0.82 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL9851483 0.82 PPARG (0.67) PPARGPDE4APDE4BPDE4CPDE4D
SCHEMBL9843803 0.82 PPARG (0.58) PPARGAGTR1ACHE
SCHEMBL9843820 0.81 PPARG (0.57) PPARGAGTR1ACHE
SCHEMBL9853637 0.81 PPARG (0.74) PPARGPDE4APDE4BPDE4CPDE4D
SCHEMBL9844138 0.81 AGTR1 (0.56) AGTR1AGTR2

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