SCHEMBL5260422

SCHEMBL5260422

COc1ccc(Cn2ncc3c(Cl)c(C(=O)c4ccccc4)cnc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NR3C1 P04150 7/20 0.48
ADORA1 P30542 3/20 0.48
NPBWR1 P48145 2/20 0.46
MAPK14 Q16539 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL14565693 0.90 ALDH1A1 (0.50) LMNAALDH1A1MAPTHPGDALOX15
SCHEMBL9835355 0.85 PDE4B (0.55) LMNAALDH1A1MAPTHPGDALOX15
SCHEMBL5262025 0.84 CCNE2 (0.55) LMNAALDH1A1MAPTHPGDALOX15
SCHEMBL9835965 0.82 NR3C1 (0.60) NR3C1
SCHEMBL587425 0.82 PDE4B (0.60) LMNAALDH1A1MAPTNR3C1ADORA1
SCHEMBL5257289 0.81 LMNA (0.43) LMNAALDH1A1MAPTHPGDALOX15
SCHEMBL2792459 0.79 ALDH1A1 (0.49) LMNAALDH1A1MAPTHPGDALOX15
SCHEMBL30644829 0.79 ALDH1A1 (0.49) LMNAALDH1A1MAPTHPGDALOX15
SCHEMBL9833323 0.79 NR3C1 (0.53) ALDH1A1NR3C1NPC1RAB9A
SCHEMBL20176618 0.79 LMNA (0.52) LMNAALDH1A1MAPTHPGDALOX15

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 3 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
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