SCHEMBL20097271

SCHEMBL20097271

C=C(Nc1ccc(C)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 16/20 0.82
CLK2 P49760 15/20 0.82
CLK3 P49761 14/20 0.82
WNT1 P04628 10/20 0.82

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
SCHEMBL23890041 0.91 DYRK1A (0.68) DYRK1ACLK2CLK3WNT1
SCHEMBL23889845 0.91 DYRK1A (0.68) DYRK1ACLK2CLK3WNT1
SCHEMBL20097391 0.90 WNT1 (0.81) DYRK1ACLK2CLK3WNT1
SCHEMBL31060545 0.90 DYRK1A (1.00) DYRK1ACLK2CLK3WNT1
SCHEMBL14803975 0.90 DYRK1A (1.00) DYRK1ACLK2CLK3WNT1
SCHEMBL20097137 0.90 WNT1 (0.81) DYRK1ACLK2CLK3WNT1
SCHEMBL17096334 0.90 DYRK1A (1.00) DYRK1ACLK2CLK3WNT1
SCHEMBL23889994 0.90 WNT1 (0.68) DYRK1ACLK2CLK3WNT1
SCHEMBL20097400 0.89 DYRK1A (0.81) DYRK1ACLK2CLK3WNT1
SCHEMBL14792231 0.89 DYRK1A (0.98) DYRK1ACLK2CLK3WNT1

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