SCHEMBL1377685

SCHEMBL1377685

Nc1ncc(Oc2ccc(Cl)cc2)c(N[C@H]2CC[C@H](O)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.37
KCNH2 Q12809 2/20 0.36
SCN9A Q15858 2/20 0.36
SCN5A Q14524 1/20 0.36
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
MAPK9 P45984 4/20 0.36
BTK Q06187 3/20 0.35
EGLN1 Q9GZT9 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MERTK Q12866 2/20 0.34
AXL P30530 1/20 0.34
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
GAS6 Q14393 1/20 0.33
IRAK1 P51617 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
SCHEMBL1375333 1.00 MAPK8 (0.37) MAPK8KCNH2SCN9ASCN5ACCNC
SCHEMBL1377682 1.00 MAPK8 (0.37) MAPK8KCNH2SCN9ASCN5ACCNC
SCHEMBL1375327 1.00 MAPK8 (0.37) MAPK8KCNH2SCN9ASCN5ACCNC
SCHEMBL1375330 1.00 MAPK8 (0.37) MAPK8KCNH2SCN9ASCN5ACCNC
SCHEMBL5205582 0.94 MAPK8 (0.41) MAPK8KCNH2SCN9ASCN5ACCNC
SCHEMBL1378901 0.94 MAPK8 (0.41) MAPK8KCNH2SCN9ASCN5ACCNC
SCHEMBL1378900 0.94 MAPK8 (0.41) MAPK8KCNH2SCN9ASCN5ACCNC
SCHEMBL1378906 0.94 MAPK8 (0.41) MAPK8KCNH2SCN9ASCN5ACCNC
SCHEMBL5205593 0.94 MAPK8 (0.41) MAPK8KCNH2SCN9ASCN5ACCNC
SCHEMBL1376243 0.93 BTK (0.40) 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