SCHEMBL1376773

SCHEMBL1376773

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.36
SCN9A Q15858 3/20 0.36
SCN5A Q14524 2/20 0.36
CCNT1 O60563 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CDK9 P50750 1/20 0.35
IRAK4 Q9NWZ3 7/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 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

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
SCHEMBL1376775 1.00 KCNH2 (0.36) KCNH2SCN9ASCN5ACCNT1CCNC
SCHEMBL5202374 1.00 KCNH2 (0.36) KCNH2SCN9ASCN5ACCNT1CCNC
SCHEMBL1376212 0.92 CCNT1 (0.31) KCNH2SCN9ASCN5ACCNT1CCNC
SCHEMBL1376214 0.92 CCNT1 (0.31) KCNH2SCN9ASCN5ACCNT1CCNC
SCHEMBL1379084 0.91 KCNH2 (0.36) KCNH2SCN9ASCN5ACCNT1CCNC
SCHEMBL1375373 0.91 KCNH2 (0.36) KCNH2SCN9ASCN5ACCNT1CCNC
SCHEMBL1375377 0.91 KCNH2 (0.36) KCNH2SCN9ASCN5ACCNT1CCNC
SCHEMBL1375129 0.87 KCNH2 (0.36) KCNH2SCN9ASCN5ACCNT1CCNC
SCHEMBL1375131 0.87 KCNH2 (0.36) KCNH2SCN9ASCN5ACCNT1CCNC
SCHEMBL5203634 0.87 KCNH2 (0.36) KCNH2SCN9ASCN5ACCNT1CCNC

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 7 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
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