SCHEMBL11238837

SCHEMBL11238837

CCCN(CCC)c1nn(CCOC)c2ncc(-c3ccncc3)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.36
NFATC1 O95644 1/20 0.36
GSK3B P49841 1/20 0.36
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CYP2C19 P33261 1/20 0.35
BMP4 P12644 1/20 0.34
AURKA O14965 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
SCHEMBL11226000 0.80 GSK3B (0.49) DYRK1ANFATC1GSK3BPDGFRBPDGFRA
SCHEMBL11232136 0.79 LATS1 (0.38) DYRK1ANFATC1GSK3BPDGFRBPDGFRA
SCHEMBL11225309 0.78 NR1D1 (0.39) GSK3BPDGFRBPDGFRACYP3A4KDM4E
SCHEMBL11238992 0.78 NR1D1 (0.36) GSK3BPDGFRBPDGFRACYP3A4KDM4E
SCHEMBL11252715 0.78 LATS1 (0.36) GSK3BCYP3A4KDM4EALDH1A1MAPT
SCHEMBL11229298 0.77 LATS1 (0.40) GSK3BPDGFRBPDGFRACYP3A4KDM4E
SCHEMBL11237364 0.77 NR1D1 (0.38) GSK3BPDGFRBPDGFRACYP3A4KDM4E
SCHEMBL11231365 0.77 MAPT (0.43) GSK3BPDGFRBPDGFRACYP3A4KDM4E
SCHEMBL11226073 0.74 ATM (0.45) GSK3BKDM4EALDH1A1MAPTHSD17B10
SCHEMBL11234009 0.73 GSK3B (0.47) DYRK1ANFATC1GSK3BPDGFRBPDGFRA

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