SCHEMBL9738741

SCHEMBL9738741

CCNc1nc(N)c2ncn(Cc3c(F)cccc3F)c2n1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.53
ADORA1 P30542 5/20 0.53
TMIGD3 P0DMS9 4/20 0.53
ADORA2B P29275 2/20 0.52
AXL P30530 2/20 0.46
MERTK Q12866 2/20 0.46
FLT3 P36888 1/20 0.46
TYRO3 Q06418 1/20 0.45
PDE8A O60658 1/20 0.45
CDK1 P06493 2/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL9738479 0.88 AXL (0.53) ADORA2AADORA1TMIGD3ADORA2BAXL
SCHEMBL9739623 0.87 ADORA2A (0.55) ADORA2AADORA1TMIGD3ADORA2BPDE8A
SCHEMBL9738619 0.84 PDE4A (0.46) ADORA2AADORA1AXLMERTKFLT3
SCHEMBL7209250 0.82 ADORA2A (0.69) ADORA2AADORA1TMIGD3ADORA2BFLT3
SCHEMBL9738975 0.81 ADORA2A (0.65) ADORA2AADORA1AXLMERTKFLT3
SCHEMBL3959823 0.79 PDE8A (0.67) ADORA2AADORA1PDE8ACDK1PDE4A
SCHEMBL23763962 0.79 ADORA2A (0.55) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL9739172 0.79 ADORA2A (0.51) ADORA2AADORA1AXLMERTKFLT3
SCHEMBL9739774 0.78 ADORA2A (0.55) ADORA2AADORA1TMIGD3ADORA2BPDE4A
SCHEMBL3957420 0.77 AXL (0.51) ADORA2AADORA1ADORA2BAXLMERTK

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
US-5110818-A Antiepileptic agents CIBA-GEIGY CORPORATION (US) 1992-05-05 US disclosed
EP-0363320-A2 Substituted 9H purine CIBA-GEIGY AG (CH) 1990-04-11 EP disclosed