SCHEMBL972433

SCHEMBL972433

c1cnc(Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)c(-c2cn[nH]c2)c1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.77
TEK Q02763 3/20 0.64
KDR P35968 1/20 0.52

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
SCHEMBL2489337 0.88 PDE10A (0.83) PDE10ATEKKDR
SCHEMBL2489359 0.87 PDE10A (1.00) PDE10ATEKKDR
SCHEMBL2487456 0.85 PDE10A (0.79) PDE10ATEKKDR
SCHEMBL972472 0.83 PDE10A (0.71) PDE10ATEK
SCHEMBL2489788 0.82 PDE10A (0.75) PDE10ATEKKDR
SCHEMBL974912 0.81 PDE10A (0.73) PDE10ATEKKDR
SCHEMBL14804947 0.80 PDE10A (1.00) PDE10ATEK
SCHEMBL2485399 0.80 TEK (0.72) PDE10ATEKKDR
SCHEMBL2484163 0.80
SCHEMBL14819109 0.80 PDE10A (0.67) PDE10ATEKKDR

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-7868177-B2 Multi-cyclic compounds and method of use AMGEN INC. (US) 2011-01-11 US claimed
EP-1994030-B1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2010-08-25 EP disclosed