SCHEMBL4425564

SCHEMBL4425564

NNc1nc(N(C(=O)O)c2ccc(F)cc2)c2ncn(Cc3ccccc3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.50
HDAC1 Q13547 6/20 0.44
HDAC2 Q92769 5/20 0.44
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CTSL P07711 1/20 0.43
PNP P00491 1/20 0.41
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL3590494 0.88 MAPK14 (0.45) MAPK14HDAC1HDAC2PDE4APDE4B
SCHEMBL3589645 0.74 YTHDC1 (0.45) MAPK14HDAC1HDAC2PDE4APDE4B
SCHEMBL3600409 0.68 MAPK14 (0.40) MAPK14HDAC1HDAC2PDE4APDE4B
SCHEMBL6482024 0.67 MAPK14 (1.00) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL183179 0.66 ADORA2A (0.62) HDAC1HDAC2PDE4APDE4BPDE4C
SCHEMBL7204064 0.65 ADORA2A (0.76) HDAC1HDAC2PDE4APDE4BPDE4C
SCHEMBL7204756 0.65 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL2060482 0.65 ADORA2A (0.57) HDAC1HDAC2PDE4APDE4BPDE4C
SCHEMBL7209426 0.64 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL2060290 0.64 ADORA2A (0.65) HDAC1HDAC2PDE4APDE4BPDE4C

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
EP-2132208-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch AS (DK) 2009-12-16 EP disclosed
WO-2008116911-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed