SCHEMBL19860596

SCHEMBL19860596

CCC(=O)c1ccc(-c2nccc3[nH]c(-c4n[nH]c5ncc(-c6cncc(NC(=O)Cc7ccccc7)c6)c(F)c45)nc23)s1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 12/20 0.58
TGFBR1 P36897 6/20 0.58
CLK2 P49760 8/20 0.48
CLK3 P49761 7/20 0.48
DYRK1A Q13627 7/20 0.48

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
SCHEMBL17569602 0.94 WNT1 (0.65) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17569590 0.92 WNT1 (0.55) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17569529 0.92 CLK2 (0.55) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17569591 0.89 WNT1 (0.54) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17569524 0.88 CLK2 (0.54) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17569518 0.87 CLK2 (0.60) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17569326 0.87 CLK2 (0.59) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17569547 0.87 WNT1 (0.56) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17588404 0.87 WNT1 (0.67) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17569249 0.86 CLK2 (0.56) 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
US-9889140-B2 3-(1H-imidazo[4,5-C]pyridin-2-yl)-1H-pyrazolo[3,4-B]pyridine and therapeutic uses thereof SAMUMED, LLC (US) 2018-02-13 US disclosed