SCHEMBL11235962

SCHEMBL11235962

CCNc1nn(C)c2nc(CC)c(-c3ccncc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.42
PDE3A Q14432 4/20 0.42
LATS1 O95835 1/20 0.39
LATS2 Q9NRM7 1/20 0.39
PGK1 P00558 3/20 0.38
KDM4E B2RXH2 6/20 0.35
HSD17B10 Q99714 5/20 0.35
CASP1 P29466 3/20 0.35
CASP7 P55210 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 2/20 0.33
NR1I2 O75469 1/20 0.33
AHR P35869 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 2/20 0.33
HPGD P15428 2/20 0.33
AAK1 Q2M2I8 1/20 0.33
CLK1 P49759 1/20 0.33

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
SCHEMBL11223425 0.86 PDE3B (0.46) PDE3BPDE3ALATS1LATS2PGK1
SCHEMBL11229128 0.84 KDM4E (0.50) PDE3BPDE3AKDM4EHSD17B10CASP1
SCHEMBL11238221 0.81 PDE3B (0.41) PDE3BPDE3AKDM4EHSD17B10ALDH1A1
SCHEMBL11238631 0.78 PDE3B (0.39) PDE3BPDE3ALATS1LATS2KDM4E
SCHEMBL11229759 0.76 GSK3B (0.46) PDE3BPDE3ALATS1LATS2PGK1
SCHEMBL11227748 0.74 MAPT (0.39) PDE3BPDE3AKDM4EHSD17B10MAPT
SCHEMBL11246839 0.71 GSK3B (0.38) PDE3BPDE3AKDM4EHSD17B10MAPT
SCHEMBL11384185 0.70 PDE3B (0.49) PDE3BPDE3AKDM4EHPGDAAK1
SCHEMBL11245015 0.70 PDE3B (0.39) PDE3BPDE3AKDM4EHSD17B10CASP1
SCHEMBL11238606 0.70 GSK3B (0.37) KDM4EHSD17B10MAPTALDH1A1MAPK1

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