SCHEMBL19336014

SCHEMBL19336014

COc1cc(F)cc(-c2ccnc3[nH]c(-c4n[nH]c5ncc(-c6cncc(NC(O)CC(C)(C)C)c6)cc45)nc23)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 17/20 0.50
TGFBR1 P36897 3/20 0.48
CLK2 P49760 4/20 0.41
CLK3 P49761 4/20 0.41
DYRK1A Q13627 4/20 0.41
CLK1 P49759 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK2 Q92630 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39

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
SCHEMBL20179074 0.92 WNT1 (0.52) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL19335949 0.90 WNT1 (0.48) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL19336089 0.90 WNT1 (0.53) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL19860618 0.89 CLK2 (0.53) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17571508 0.89 WNT1 (0.53) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL20992912 0.88 CLK2 (0.49) WNT1CLK2CLK3DYRK1A
SCHEMBL17571528 0.86 WNT1 (0.58) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL19336052 0.86 WNT1 (0.63) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17571507 0.85 WNT1 (0.55) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17571531 0.85 WNT1 (0.53) 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-9758531-B2 3-(3H-imidazo[4,5-B]pyridin-2-yl)-1H-pyrazolo[3,4-B]pyridine and therapeutic uses thereof SAMUMED, LLC (US) 2017-09-12 US disclosed