SCHEMBL1378801

SCHEMBL1378801

Nc1ncc(Oc2ccc(Cl)cc2)c(NCC2CCCC(O)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 3/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
APP P05067 1/20 0.34
SCN5A Q14524 3/20 0.33
KCNH2 Q12809 2/20 0.33
SCN9A Q15858 2/20 0.33
CCNT1 O60563 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CDK9 P50750 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PRKCQ Q04759 2/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL1378800 1.00 IRAK1 (0.38) IRAK1NOS3NOS1EGLN1IRAK4
SCHEMBL5205868 1.00 IRAK1 (0.38) IRAK1NOS3NOS1EGLN1IRAK4
SCHEMBL5205876 1.00 IRAK1 (0.38) IRAK1NOS3NOS1EGLN1IRAK4
SCHEMBL1378803 1.00 IRAK1 (0.38) IRAK1NOS3NOS1EGLN1IRAK4
SCHEMBL5203021 0.94 IRAK1 (0.36) IRAK1NOS3NOS1EGLN1SCN5A
SCHEMBL1376037 0.94 IRAK1 (0.36) IRAK1NOS3NOS1EGLN1SCN5A
SCHEMBL1376032 0.94 IRAK1 (0.36) IRAK1NOS3NOS1EGLN1SCN5A
SCHEMBL1376035 0.94 IRAK1 (0.36) IRAK1NOS3NOS1EGLN1SCN5A
SCHEMBL5203028 0.94 IRAK1 (0.36) IRAK1NOS3NOS1EGLN1SCN5A
SCHEMBL1375711 0.93 TDO2 (0.37) IRAK1NOS3NOS1EGLN1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4743463-B2 2011-08-10 JP claimed
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP claimed
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 claimed
JP-2002541245-A 2002-12-03 JP claimed
EP-1165523-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP claimed
WO-2000061562-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-19 WO claimed
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
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