SCHEMBL9738136

SCHEMBL9738136

CNc1nc(NC)c2ncn(Cc3ccccc3Cl)c2n1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 11/20 0.63
PDE4A P27815 4/20 0.57
PDE4B Q07343 4/20 0.57
PDE4C Q08493 4/20 0.57
PDE4D Q08499 4/20 0.57
PDE5A O76074 2/20 0.57
PDE1A P54750 2/20 0.57
PDE1B Q01064 2/20 0.57
PDE1C Q14123 2/20 0.57
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
CNR2 P34972 3/20 0.50
ADORA2A P29274 1/20 0.50

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
SCHEMBL9738420 0.89 YTHDC1 (0.78) YTHDC1
SCHEMBL9739828 0.88 YTHDC1 (0.50) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL9739343 0.87 YTHDC1 (0.68) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL9738444 0.87 YTHDC1 (0.56) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL9738428 0.85 PDE4A (0.77) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL9738081 0.85 YTHDC1 (0.59) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL9739040 0.85 PDE4A (0.52) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL9741179 0.79 CCR4 (0.48) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL9739440 0.77 YTHDC1 (0.75) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL27388375 0.77 YTHDC1 (1.00) YTHDC1

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
EP-0363320-A2 Substituted 9H purine CIBA-GEIGY AG (CH) 1990-04-11 EP claimed
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