SCHEMBL20041368

SCHEMBL20041368

CN1CCN(CNc2cncc(-c3cnc4[nH]nc(-c5nc6c(C(=O)N7CCCC7)ccnc6[nH]5)c4c3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 11/20 0.42
DYRK1A Q13627 9/20 0.42
CLK2 P49760 8/20 0.42
CLK3 P49761 8/20 0.42
TGFBR1 P36897 2/20 0.40
GSK3B P49841 1/20 0.38

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
SCHEMBL12370073 0.90 WNT1 (0.46) WNT1DYRK1ACLK2CLK3TGFBR1
SCHEMBL20041271 0.88 DYRK1A (0.44) WNT1DYRK1ACLK2CLK3TGFBR1
SCHEMBL12370053 0.86 WNT1 (0.55) WNT1DYRK1ACLK2CLK3TGFBR1
SCHEMBL12370071 0.86 WNT1 (0.54) WNT1DYRK1ACLK2CLK3TGFBR1
SCHEMBL12370070 0.85 CLK2 (0.42) WNT1DYRK1ACLK2CLK3TGFBR1
SCHEMBL12370060 0.85 CLK2 (0.52) WNT1DYRK1ACLK2CLK3TGFBR1
SCHEMBL12370075 0.85 CLK2 (0.45) WNT1DYRK1ACLK2CLK3TGFBR1
SCHEMBL12370064 0.84 CLK2 (0.54) WNT1DYRK1ACLK2CLK3TGFBR1
SCHEMBL19499882 0.84 CLK2 (0.55) WNT1DYRK1ACLK2CLK3TGFBR1
SCHEMBL12370132 0.84 CLK2 (0.47) WNT1DYRK1ACLK2CLK3TGFBR1

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