SCHEMBL9038294

SCHEMBL9038294

CCn1c(=O)c2c(N=CN(C)C)c(C)cnc2n(CC)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.40
ADORA2A P29274 5/20 0.40
PDE4A P27815 5/20 0.35
PDE4B Q07343 5/20 0.35
PDE4C Q08493 5/20 0.35
PDE4D Q08499 5/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HTT P42858 2/20 0.33
PDE5A O76074 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL9040616 0.77 ADORA2A (0.41) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL8647860 0.77 ADORA2A (0.41) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9018998 0.73 ADORA2B (0.48) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9019089 0.73 ADORA2B (0.44) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9039917 0.72 ADORA2B (0.40) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9038401 0.69 ADORA2B (0.40) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9039738 0.68 ADORA2B (0.40) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9040396 0.66 ADORA2A (0.49) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9039673 0.64 ADORA2A (0.47) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9038499 0.64 ADORA2A (0.43) ADORA2BADORA2APDE4APDE4BPDE4C

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-0696590-A1 Pyrido[2,3-d]pyrimidine derivatives, their preparation and their use as anti-asthma agents NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1996-02-14 EP disclosed