SCHEMBL9739561

SCHEMBL9739561

CN(C)c1nc(N(C)C)c2ncn(Cc3ccccc3Cl)c2n1

nearest known ligand 0.70

Predicted protein targets (top 13)

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
CNR2 P34972 11/20 0.47
ADORA2A P29274 1/20 0.44
CNR1 P21554 1/20 0.44
ACP1 P24666 1/20 0.44
YTHDC1 Q96MU7 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9738569 0.89 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9739898 0.87 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9738722 0.87 ADORA2A (0.48) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL9739048 0.85 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9739040 0.85 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9738081 0.85 YTHDC1 (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9738222 0.83 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9740503 0.79 ACP1 (0.44) CNR2ACP1LMNA
SCHEMBL9738525 0.77 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9738800 0.77 PDE4A (0.50) 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