SCHEMBL5262156

SCHEMBL5262156

CCOC(=O)C(=CNc1ccnn1Cc1ccc(OC)cc1)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
STAT1 P42224 1/20 0.44
UCHL1 P09936 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 3/20 0.42
BTK Q06187 1/20 0.42
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
HTT P42858 1/20 0.39
DHODH Q02127 3/20 0.39
CYP19A1 P11511 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL8147796 1.00 LMNA (0.44) LMNASTAT1UCHL1NPSR1KDM4E
SCHEMBL583356 0.90 NPSR1 (0.48) LMNASTAT1UCHL1NPSR1KDM4E
SCHEMBL2535567 0.85 LMNA (0.56) LMNASTAT1NPSR1KDM4EMAPT
SCHEMBL3743887 0.83 BTK (0.44) UCHL1BTKERCC5FEN1CYP19A1
SCHEMBL11878964 0.82 LMNA (0.45) LMNASTAT1NPSR1KDM4EMAPT
SCHEMBL12993596 0.80 UCHL1 (0.45) LMNAUCHL1NPSR1KDM4EMAPT
SCHEMBL9874767 0.79 DHODH (0.58) LMNANPSR1KDM4EMAPTGAA
SCHEMBL11789499 0.78 NPSR1 (0.50) LMNASTAT1NPSR1KDM4EMAPT
SCHEMBL2794177 0.77 BTK (0.39) UCHL1NPSR1MAPTBTKERCC5
SCHEMBL14026969 0.77 UCHL1 (0.41) LMNAUCHL1NPSR1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043998-B1 USE OF PYRAZOLO [3,4-b] PYRIDINE AS CYCLIN DEPENDANT KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-03-07 EP disclosed
US-6107305-A Use of pyrazolo [3,4-b] pyridine as cyclin dependent kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-22 US disclosed