SCHEMBL12152136

SCHEMBL12152136

CCCCc1nc2[nH]c(=O)n(CC)c(=O)c2n1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.40
ADORA2A P29274 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
ADORA2B P29275 4/20 0.40
ADORA3 P0DMS8 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.38
ADORA1 P30542 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4445212 0.83 KDM4E (0.51) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL9853394 0.75 ADORA2B (0.45) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL14629809 0.75 SMN1; SMN2 (0.51) PDE4AADORA2APDE4DADORA2BADORA3
SCHEMBL15075374 0.74 ALOX15 (0.49) ADORA2AMAPK1ALOX15ADORA1
SCHEMBL9287679 0.70 ADORA2A (0.53) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6944694 0.70 SMN1; SMN2 (0.56) MEN1KMT2AMAPK1HSD17B10SMN1; SMN2
SCHEMBL10650075 0.69 MEN1 (0.35) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL2547503 0.69 ADORA2B (0.41) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL9844553 0.69 PDE4A (0.56) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL5867203 0.69 TSHR (0.48) MEN1KMT2AMAPK1HSD17B10SMN1; SMN2

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-2011142381-A1 BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE FUJITA TAKASHI (JP) 2011-11-17 WO disclosed