SCHEMBL5202767

SCHEMBL5202767

Cc1ccc(Cc2cnc(N)[nH]c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
PLA2G7 Q13093 4/20 0.42
AOC3 Q16853 1/20 0.41
PNP P00491 2/20 0.40
RET P07949 1/20 0.40
MAPT P10636 1/20 0.40
KDR P35968 1/20 0.40
DAO P14920 1/20 0.40
XDH P47989 1/20 0.39

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
SCHEMBL5206921 0.84 PLA2G7 (0.49) PDE3BPDE3APLA2G7AOC3PNP
SCHEMBL11542383 0.84 AOC3 (0.60) PLA2G7AOC3PNP
SCHEMBL7714253 0.84 PNP (0.58) PLA2G7AOC3PNP
SCHEMBL7716578 0.84 PLA2G7 (0.48) PLA2G7PNPXDH
SCHEMBL10653223 0.79 PLA2G7 (0.52) PDE3BPDE3APLA2G7
SCHEMBL7714583 0.76 PLA2G7 (0.61) PLA2G7PNP
SCHEMBL13039021 0.76 NOS1 (0.42) AOC3MAPT
SCHEMBL7714354 0.76 PNP (0.51) PLA2G7PNP
SCHEMBL7714729 0.73 DHFR (0.58)
SCHEMBL162683 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP disclosed
US-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-6583148-B1 Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine KRENITSKY PHARMACEUTICALS, INC. 2003-06-24 US disclosed
US-6440965-B1 Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system KRENITSKY PHARMACEUTICALS, INC. 2002-08-27 US disclosed
EP-1165523-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP disclosed
WO-2000061562-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-19 WO disclosed