SCHEMBL20041563

SCHEMBL20041563

CCC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccc(C)c6)ccnc5[nH]4)c3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 11/20 0.59
CLK3 P49761 11/20 0.59
DYRK1A Q13627 11/20 0.59
WNT1 P04628 10/20 0.58
TGFBR1 P36897 3/20 0.58
CLK1 P49759 1/20 0.50
GSK3B P49841 1/20 0.50
DYRK2 Q92630 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
DYRK1B Q9Y463 1/20 0.50

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
SCHEMBL12369996 0.93 CLK2 (0.59) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12370019 0.92 CLK2 (0.69) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12369960 0.92 CLK2 (0.58) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL15617350 0.90 WNT1 (0.68) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12369986 0.90 WNT1 (0.58) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17565045 0.90 CLK2 (0.58) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19498781 0.89 CLK2 (0.52) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17656552 0.89 CLK2 (0.47) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19497965 0.89 CLK2 (0.72) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12370006 0.88 CLK2 (0.60) 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