SCHEMBL5262267

SCHEMBL5262267

CCCCOc1c(C(=O)N(C)OC)cnc2c1cnn2Cc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE4B Q07343 2/20 0.42
PDE1A P54750 3/20 0.41
PDE1B Q01064 3/20 0.41
PDE1C Q14123 3/20 0.41
NPBWR1 P48145 2/20 0.40
ADORA1 P30542 5/20 0.40
GAA P10253 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL5262559 0.87 MAPT (0.48) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL5260494 0.82 CCNB2 (0.45) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL6188570 0.80 ALDH1A1 (0.51) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL583310 0.78 ADORA1 (0.55) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL583304 0.78 PDE4B (0.54) PDE4BADORA1
SCHEMBL583294 0.77 PDE4B (0.50) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL582502 0.76 PDE4B (0.62) PDE4BADORA1
SCHEMBL583449 0.76 PDE4B (0.49) PDE4BADORA1
SCHEMBL583448 0.76 PDE4B (0.49) PDE4BADORA1
SCHEMBL15130259 0.74 NPBWR1 (0.45) ALDH1A1SMN1; SMN2NPBWR1

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 1 patent. 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