SCHEMBL18352015

SCHEMBL18352015

CNc1nc2c(c(NC)n1)C(=O)NCC2

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.38
PDE4A P27815 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32

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
SCHEMBL28677927 0.67 PDE4B (0.49) PDE4B
SCHEMBL31732376 0.65 PDE4B (0.41) PDE4B
SCHEMBL26795366 0.65 PDE4B (0.41) PDE4B
SCHEMBL31145931 0.62 PDE4B (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL29965443 0.61 PDE4B (0.40) PDE4BPDE4APDE4CPDE4D
SCHEMBL26660637 0.61 MAP4K1 (0.45)
SCHEMBL31501830 0.61 MAP4K1 (0.45)
SCHEMBL31501903 0.61 POLB (0.43)
SCHEMBL5133297 0.60 PDE4B (0.49) PDE4B
SCHEMBL19930075 0.58 YTHDC1 (0.38)

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
US-9533986-B2 Bicyclic dihydropyridone kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2017-01-03 US disclosed