SCHEMBL9738982

SCHEMBL9738982

CN(C)c1nc(Cl)nc2c1ncn2Cc1c(F)cccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
PDE8A O60658 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AXL P30530 2/20 0.45
MERTK Q12866 2/20 0.45
FLT3 P36888 1/20 0.45
YTHDC1 Q96MU7 4/20 0.44
TYRO3 Q06418 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 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
SCHEMBL9738525 0.87 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9738800 0.86 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9740849 0.85 ADORA2A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9738497 0.83 AXL (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL1578361 0.83 PDE8A (0.51) PDE8AADORA2AADORA1AXLMERTK
SCHEMBL9738619 0.81 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL3959823 0.81 PDE8A (0.67) PDE4APDE4BPDE4CPDE4DPDE8A
SCHEMBL10442061 0.81 CYP1A2 (0.61) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9738492 0.81 YTHDC1 (0.70) AXLMERTKFLT3YTHDC1TYRO3
SCHEMBL9738569 0.79 PDE4A (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO disclosed
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