SCHEMBL15876396

SCHEMBL15876396

OCC(CC1CC1)Nc1nc2nc(C3CNCCN3)nc(N3CCCC3)c2nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.36
PDE4B Q07343 10/20 0.36
PDE4C Q08493 10/20 0.36
PDE4D Q08499 10/20 0.36

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
SCHEMBL3322190 0.82 PDE4A (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL3326676 0.81 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL3327174 0.65 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL3324208 0.64 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL3324336 0.58 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL3321333 0.58 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL3326728 0.58 PDE4A (0.65) PDE4APDE4BPDE4CPDE4D
SCHEMBL3326716 0.58 PDE4A (0.65) PDE4APDE4BPDE4CPDE4D
SCHEMBL3326067 0.57 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL3322736 0.57 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032585-B1 SUBSTITUTED PTERIDINES AS THERAPEUTIC AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed