SCHEMBL9738800

SCHEMBL9738800

CN(C)c1nc(N(C)C)c2ncn(Cc3c(F)cccc3F)c2n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
AXL P30530 2/20 0.46
MERTK Q12866 2/20 0.46
FLT3 P36888 1/20 0.46
TYRO3 Q06418 1/20 0.45
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK14 Q16539 2/20 0.41

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
SCHEMBL9740849 0.86 ADORA2A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9739048 0.86 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9738982 0.86 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9739172 0.86 ADORA2A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9740123 0.84 AXL (0.61) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9738497 0.84 AXL (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9738619 0.82 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10442061 0.82 CYP1A2 (0.61) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9739221 0.80 ALDH1A1 (0.46) ADORA2AADORA1AXLMERTKFLT3
SCHEMBL9739561 0.77 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B

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