SCHEMBL1379084

SCHEMBL1379084

Nc1ncc(Oc2ccc(Cl)cc2)c(NC[C@@H]2CC[C@H]2CO)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.36
SCN9A Q15858 3/20 0.36
SCN5A Q14524 2/20 0.36
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
MAPT P10636 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.33
TRPC6 Q9Y210 1/20 0.33
POLB P06746 1/20 0.33
TTBK1 Q5TCY1 1/20 0.33
TTBK2 Q6IQ55 1/20 0.33
LTA4H P09960 1/20 0.32
EGLN1 Q9GZT9 1/20 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
SCHEMBL1375377 1.00 KCNH2 (0.36) KCNH2SCN9ASCN5ACCNCCDK8
SCHEMBL1375373 1.00 KCNH2 (0.36) KCNH2SCN9ASCN5ACCNCCDK8
SCHEMBL5202374 0.91 KCNH2 (0.36) KCNH2SCN9ASCN5ACCNCCDK8
SCHEMBL1376775 0.91 KCNH2 (0.36) KCNH2SCN9ASCN5ACCNCCDK8
SCHEMBL1376773 0.91 KCNH2 (0.36) KCNH2SCN9ASCN5ACCNCCDK8
SCHEMBL1378923 0.89 SCN9A (0.36) KCNH2SCN9ASCN5ACCNCCDK8
SCHEMBL1378922 0.89 SCN9A (0.36) KCNH2SCN9ASCN5ACCNCCDK8
SCHEMBL5203626 0.89 SCN9A (0.36) KCNH2SCN9ASCN5ACCNCCDK8
SCHEMBL1376060 0.85 MEN1 (0.32) KCNH2SCN9ASCN5ACCNCCDK8
SCHEMBL1376059 0.85 MEN1 (0.32) KCNH2SCN9ASCN5ACCNCCDK8

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