SCHEMBL19860554

SCHEMBL19860554

OC(Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)nccc5[nH]4)c3c2F)c1)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 14/20 0.44
CLK3 P49761 13/20 0.44
DYRK1A Q13627 13/20 0.44
WNT1 P04628 6/20 0.43
TGFBR1 P36897 5/20 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
SCHEMBL20747761 0.91 CLK2 (0.55) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19860562 0.90 CLK2 (0.51) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19860600 0.90 CLK2 (0.55) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17569251 0.88 CLK2 (0.57) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20179037 0.88 WNT1 (0.43) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20747711 0.88 CLK2 (0.53) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19860568 0.88 CLK2 (0.49) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19860595 0.87 WNT1 (0.42) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19363508 0.87 CLK2 (0.48) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19860606 0.87 CLK2 (0.62) CLK2CLK3DYRK1AWNT1TGFBR1

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