SCHEMBL1377657

SCHEMBL1377657

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.36
KCNH2 Q12809 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
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
MAPT P10636 1/20 0.34
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
IRAK1 P51617 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 0.33

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
SCHEMBL1376355 1.00 SCN9A (0.36) SCN9AKCNH2SCN5ACCNCCDK8
SCHEMBL1376354 1.00 SCN9A (0.36) SCN9AKCNH2SCN5ACCNCCDK8
SCHEMBL1376032 0.93 IRAK1 (0.36) SCN9AKCNH2SCN5ACCNCCDK8
SCHEMBL1376035 0.93 IRAK1 (0.36) SCN9AKCNH2SCN5ACCNCCDK8
SCHEMBL5203028 0.93 IRAK1 (0.36) SCN9AKCNH2SCN5ACCNCCDK8
SCHEMBL1376037 0.93 IRAK1 (0.36) SCN9AKCNH2SCN5ACCNCCDK8
SCHEMBL5203021 0.93 IRAK1 (0.36) SCN9AKCNH2SCN5ACCNCCDK8
SCHEMBL7456680 0.92 EGLN1 (0.33) SCN9AKCNH2SCN5ACCNCCDK8
SCHEMBL7456677 0.92 EGLN1 (0.33) SCN9AKCNH2SCN5ACCNCCDK8
SCHEMBL5205876 0.91 IRAK1 (0.38) SCN9AKCNH2SCN5ACCNCCDK8

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 9 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