SCHEMBL18175073

SCHEMBL18175073

C=CCn1cnc2c1C(=C)N(C)C(=O)N2C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.43
PDE4A P27815 1/20 0.39
ADORA2A P29274 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL10039865 0.76 PIK3CD (0.30) ADORA2BADORA2A
SCHEMBL19472283 0.69 ADORA2B (0.41) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL1539119 0.63 ADORA2B (0.42) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL19677248 0.62 PDE4A (0.39) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL19090548 0.61 BRD4 (0.39) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL14505648 0.60 ADORA2B (0.47) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL316279 0.60 ADORA2B (1.00) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL28973357 0.60 LMNA (0.65) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL30874782 0.58 SMN1; SMN2 (0.55) KMT2AALDH1A1GAAKDM4EHPGD
SCHEMBL17210366 0.58 MEN1 (0.33) ADORA2BPDE4AADORA2APDE4BPDE4C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 EP disclosed
EP-2170309-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL HYDRA BIOSCIENCES INC (US) 2016-10-26 EP disclosed