SCHEMBL19335986

SCHEMBL19335986

CCCCC(O)Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6ccc(F)s6)ccnc5[nH]4)c3c2F)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 16/20 0.44
CLK2 P49760 5/20 0.40
CLK3 P49761 4/20 0.40
DYRK1A Q13627 4/20 0.40
TGFBR1 P36897 7/20 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
SCHEMBL20929807 0.97 WNT1 (0.45) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL20179062 0.94 WNT1 (0.46) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL20929829 0.91 WNT1 (0.43) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL20179035 0.89 WNT1 (0.39) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL17564479 0.89 WNT1 (0.45) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL19336083 0.88 WNT1 (0.43) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL20929813 0.87 WNT1 (0.43) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL19263367 0.87 WNT1 (0.48) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL20381365 0.86 WNT1 (0.45) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL17564483 0.86 WNT1 (0.54) WNT1CLK2CLK3DYRK1ATGFBR1

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