SCHEMBL9738569

SCHEMBL9738569

CN(C)c1nc(Cl)nc2c1ncn2Cc1ccccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
YTHDC1 Q96MU7 6/20 0.52
CNR2 P34972 7/20 0.47
CNR1 P21554 1/20 0.47
ADORA2A P29274 1/20 0.45
ACP1 P24666 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
SCHEMBL9739561 0.89 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9739898 0.88 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9738525 0.88 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9739040 0.86 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9738222 0.84 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL22345218 0.83 YTHDC1 (0.54) YTHDC1CNR2CNR1ADORA2AACP1
SCHEMBL9738420 0.80 YTHDC1 (0.78) YTHDC1
SCHEMBL9738982 0.79 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9738722 0.78 ADORA2A (0.48) PDE4APDE4BPDE4CPDE4DYTHDC1
SCHEMBL9738081 0.76 YTHDC1 (0.59) 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