SCHEMBL20041320

SCHEMBL20041320

Cc1n[nH]c2ncc(-c3cncc(NC(=O)C4CCN(C)CC4)c3)cc12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 13/20 0.53
GSK3B P49841 7/20 0.53
CLK2 P49760 9/20 0.52
CLK3 P49761 8/20 0.52
WNT1 P04628 4/20 0.48
MAPT P10636 2/20 0.46
DYRK1B Q9Y463 1/20 0.45
TGFBR1 P36897 1/20 0.45
GSK3A P49840 1/20 0.44

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
SCHEMBL12965647 0.84 GSK3B (0.51) DYRK1AGSK3BCLK2CLK3WNT1
SCHEMBL18453152 0.79 CLK2 (0.49) DYRK1AGSK3BCLK2CLK3WNT1
SCHEMBL12369903 0.78 CLK2 (0.56) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL12370389 0.78 CLK2 (0.61) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL12369859 0.78 CLK2 (0.64) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL12369993 0.78 WNT1 (0.57) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL12370234 0.77 TGFBR1 (0.68) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL20041301 0.77 WNT1 (0.48) DYRK1AGSK3BCLK2CLK3WNT1
SCHEMBL17656677 0.77 DYRK1A (0.42) DYRK1AGSK3BCLK2CLK3WNT1
SCHEMBL12370574 0.77 CLK2 (0.55) 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