SCHEMBL20041256

SCHEMBL20041256

CCC(=O)Nc1ccc(-c2cnc3[nH]nc(-c4nc5c(C=O)ccnc5[nH]4)c3c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 8/20 0.42
CLK3 P49761 8/20 0.42
DYRK1A Q13627 8/20 0.42
WNT1 P04628 8/20 0.39
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
TGFBR1 P36897 2/20 0.38
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PIK3CD O00329 1/20 0.36
MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL12397474 0.87 PARP1 (0.43) CLK2CLK3DYRK1AWNT1CCNT1
SCHEMBL12395513 0.86 CLK2 (0.41) CLK2CLK3DYRK1AWNT1CCNT1
SCHEMBL12396270 0.86 CLK2 (0.41) CLK2CLK3DYRK1AWNT1CCNT1
SCHEMBL12395407 0.86 WNT1 (0.47) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12397361 0.85 CLK2 (0.49) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12396628 0.85 CLK2 (0.47) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12396644 0.85 CLK2 (0.41) CLK2CLK3DYRK1AWNT1CCNT1
SCHEMBL12397393 0.85 CLK2 (0.40) CLK2CLK3DYRK1AWNT1CCNT1
SCHEMBL12395405 0.84 WNT1 (0.56) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12396633 0.83 WNT1 (0.46) CLK2CLK3DYRK1AWNT1TGFBR1

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-3305073-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF Samumed, LLC (US) 2018-04-11 EP disclosed