SCHEMBL11238844

SCHEMBL11238844

CCN(C)c1nn(C)c2ncc(-c3ccncc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.45
LATS1 O95835 2/20 0.42
LATS2 Q9NRM7 2/20 0.42
NR1D1 P20393 1/20 0.39
PDGFRB P09619 3/20 0.35
PDGFRA P16234 3/20 0.35
ALOX15 P16050 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GSK3A P49840 1/20 0.34

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
SCHEMBL11234318 0.88 GSK3B (0.46) GSK3BLATS1LATS2NR1D1PDGFRB
SCHEMBL11232476 0.87 GSK3B (0.49) GSK3BLATS1LATS2NR1D1PDGFRB
SCHEMBL11231365 0.81 MAPT (0.43) GSK3BLATS1LATS2NR1D1PDGFRB
SCHEMBL11225309 0.76 NR1D1 (0.39) GSK3BLATS1LATS2NR1D1PDGFRB
SCHEMBL11229759 0.75 GSK3B (0.46) GSK3BLATS1LATS2NR1D1PDGFRB
SCHEMBL11229327 0.75 GSK3B (0.76) GSK3BPDGFRBPDGFRAALOX15KDM4E
SCHEMBL11229298 0.74 LATS1 (0.40) GSK3BLATS1LATS2NR1D1PDGFRB
SCHEMBL11237364 0.74 NR1D1 (0.38) GSK3BLATS1LATS2NR1D1PDGFRB
SCHEMBL11228515 0.73 GSK3B (0.52) GSK3BPDGFRBPDGFRAALOX15MEN1
SCHEMBL11234298 0.72 ROCK2 (0.42) GSK3BLATS1LATS2NR1D1PDGFRB

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
US-4361568-A 5-(Pyridinyl)-1H-pyrazolo[3,4-b]pyridin-3-amines and their cardiotonic use STERLING DRUG INC. (US) 1982-11-30 US disclosed
EP-0063754-A1 Pyrazolopyridine derivatives, and preparation, useful as cardiotonics STERLING DRUG INC. (US) 1982-11-03 EP disclosed