SCHEMBL17596996

SCHEMBL17596996

CC(=O)c1ccc(-c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cncc(CN(C)C7CCCC7)c6)cc45)nc23)s1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 12/20 0.49
TGFBR1 P36897 10/20 0.49
CLK2 P49760 9/20 0.46
CLK3 P49761 9/20 0.46
DYRK1A Q13627 9/20 0.46

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
SCHEMBL17587994 0.91 WNT1 (0.53) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17597503 0.89 WNT1 (0.48) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17588003 0.87 WNT1 (0.53) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17587995 0.86 WNT1 (0.56) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17587989 0.85 WNT1 (0.54) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17587999 0.85 WNT1 (0.56) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17587987 0.84 CLK2 (0.56) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17588005 0.83 WNT1 (0.69) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17588001 0.83 WNT1 (0.67) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17588004 0.83 WNT1 (0.54) WNT1TGFBR1CLK2CLK3DYRK1A

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-2016040182-A1 2-(1H-INDAZOL-3-YL)-1H-IMIDAZO[4,5-C]PYRIDINE AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2016-03-17 WO claimed