SCHEMBL20041271

SCHEMBL20041271

CNc1cncc(-c2cnc3[nH]nc(-c4nc5c(C(=O)N6CCCC6)ccnc5[nH]4)c3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.44
CLK2 P49760 8/20 0.44
CLK3 P49761 8/20 0.44
WNT1 P04628 11/20 0.43
TGFBR1 P36897 2/20 0.41
GSK3B P49841 1/20 0.39

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
SCHEMBL12370070 0.91 CLK2 (0.42) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL12370053 0.90 WNT1 (0.55) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL12370060 0.90 CLK2 (0.52) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL12370075 0.90 CLK2 (0.45) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL12370073 0.89 WNT1 (0.46) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL12370065 0.88 WNT1 (0.56) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL19499882 0.88 CLK2 (0.55) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL20041368 0.88 WNT1 (0.42) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL12370064 0.88 CLK2 (0.54) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL12370068 0.87 CLK2 (0.48) DYRK1ACLK2CLK3WNT1TGFBR1

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