SCHEMBL20041264

SCHEMBL20041264

CN(C)C(=O)c1ccnc2[nH]c(-c3n[nH]c4ncc(-c5cccnc5)cc34)nc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 11/20 0.46
CLK3 P49761 11/20 0.46
DYRK1A Q13627 11/20 0.46
WNT1 P04628 9/20 0.46
TGFBR1 P36897 3/20 0.46
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL12370161 0.87 CLK2 (0.48) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12370152 0.86 WNT1 (0.45) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17557478 0.85 WNT1 (0.55) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12370142 0.85 CLK2 (0.55) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12370134 0.85 CLK2 (0.52) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12396644 0.84 CLK2 (0.41) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20041589 0.84 CLK2 (0.47) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12370148 0.84 CLK2 (0.55) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12370144 0.83 CLK2 (0.57) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12370005 0.83 WNT1 (0.55) 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