SCHEMBL20097159

SCHEMBL20097159

C=C(Nc1ccc(N2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(N)c3)cc12

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 11/20 0.62
DYRK1A Q13627 18/20 0.62
CLK2 P49760 10/20 0.62
CLK3 P49761 10/20 0.62
GSK3B P49841 2/20 0.54

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
SCHEMBL20097416 0.91 WNT1 (0.62) WNT1DYRK1ACLK2CLK3GSK3B
SCHEMBL14792596 0.90 WNT1 (0.77) WNT1DYRK1ACLK2CLK3GSK3B
SCHEMBL14792564 0.89 WNT1 (0.79) WNT1DYRK1ACLK2CLK3GSK3B
SCHEMBL20097137 0.88 WNT1 (0.81) WNT1DYRK1ACLK2CLK3
SCHEMBL20097391 0.88 WNT1 (0.81) WNT1DYRK1ACLK2CLK3
SCHEMBL20097400 0.88 DYRK1A (0.81) WNT1DYRK1ACLK2CLK3
SCHEMBL14792431 0.87 DYRK1A (0.77) WNT1DYRK1ACLK2CLK3GSK3B
SCHEMBL20097419 0.87 DYRK1A (0.65) WNT1DYRK1ACLK2CLK3GSK3B
SCHEMBL23889879 0.86 WNT1 (0.58) WNT1DYRK1ACLK2CLK3GSK3B
SCHEMBL20097171 0.86 DYRK1A (0.61) WNT1DYRK1ACLK2CLK3GSK3B

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
WO-2018075858-A1 METHODS OF USING INDAZOLE-3-CARBOXAMIDES AND THEIR USE AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS SAMUMED, LLC (US) 2018-04-26 WO disclosed