SCHEMBL29015261

SCHEMBL29015261

CC(C)Cn1c(N)nc(=O)c2nc[nH]c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.46
ADORA2B P29275 3/20 0.46
PDE2A O00408 6/20 0.44
PDE1A P54750 4/20 0.44
PDE1B Q01064 4/20 0.44
PDE1C Q14123 4/20 0.44
CFTR P13569 2/20 0.44
ADORA1 P30542 2/20 0.44
PDE5A O76074 2/20 0.44
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
SCN1A P35498 1/20 0.44
PDE6C P51160 1/20 0.44
PDE3B Q13370 1/20 0.44

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
SCHEMBL6035387 0.84 ADORA2A (0.42) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL16494562 0.79 PNP (0.35) PNP
SCHEMBL29015263 0.78 ADORA2A (0.61) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL5667528 0.78 ADORA2B (0.47) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL5503490 0.77 ADORA2A (0.49) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL17580687 0.76 MEN1 (0.44) CYP3A4PDE3APNPALDH1A1SMN1; SMN2
SCHEMBL11215532 0.76 PNP (0.36) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL48433 0.75 ATAD2 (0.38) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL7066008 0.75 PNP (0.66) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL11222783 0.75 PNP (0.36) ADORA2AADORA2BPDE2APDE1APDE1B

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
CN-116096860-A Mammalian livestock pluripotent stem cell line from delayed embryo 阿塞尔塔有限公司 2023-05-09 CN disclosed