SCHEMBL19336089

SCHEMBL19336089

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

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 17/20 0.53
TGFBR1 P36897 4/20 0.51
CLK2 P49760 4/20 0.43
CLK3 P49761 4/20 0.43
DYRK1A Q13627 4/20 0.43

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
SCHEMBL17571508 0.93 WNT1 (0.53) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL19336014 0.90 WNT1 (0.50) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17571518 0.89 WNT1 (0.58) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17571531 0.89 WNT1 (0.53) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL20179120 0.88 WNT1 (0.54) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL19216482 0.88 CLK2 (0.56) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17571512 0.87 WNT1 (0.48) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17557479 0.87 WNT1 (0.70) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17571588 0.86 WNT1 (0.47) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17571524 0.86 WNT1 (0.60) 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