SCHEMBL1376212

SCHEMBL1376212

Nc1ncc(Oc2ccc(Cl)cc2)c(NCC2(O)CC2)n1.Nc1ncc(Oc2ccc(Cl)cc2)c(NCC2CC2CO)n1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
CDK9 P50750 1/20 0.31
KCNH2 Q12809 2/20 0.31
SCN9A Q15858 2/20 0.31
SCN5A Q14524 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1376214 1.00 CCNT1 (0.31) CCNT1CCNCCDK8CDK9KCNH2
SCHEMBL1376773 0.92 KCNH2 (0.36) CCNT1CCNCCDK8CDK9KCNH2
SCHEMBL1376775 0.92 KCNH2 (0.36) CCNT1CCNCCDK8CDK9KCNH2
SCHEMBL5202374 0.92 KCNH2 (0.36) CCNT1CCNCCDK8CDK9KCNH2
SCHEMBL5206576 0.88 SCN9A (0.38) CCNT1CCNCCDK8CDK9KCNH2
SCHEMBL1376021 0.84 SCN9A (0.36) CCNT1CCNCCDK8CDK9KCNH2
SCHEMBL1375573 0.84 SCN9A (0.37) CCNT1CCNCCDK8CDK9KCNH2
SCHEMBL1379084 0.83 KCNH2 (0.36) CCNT1CCNCCDK8CDK9KCNH2
SCHEMBL1375377 0.83 KCNH2 (0.36) CCNT1CCNCCDK8CDK9KCNH2
SCHEMBL1375373 0.83 KCNH2 (0.36) CCNT1CCNCCDK8CDK9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4743463-B2 2011-08-10 JP 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-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