SCHEMBL19860587

SCHEMBL19860587

CC(C)(C)CC(O)Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)nccc5[nH]4)c3c2F)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 14/20 0.46
CLK3 P49761 14/20 0.46
DYRK1A Q13627 14/20 0.46
WNT1 P04628 6/20 0.43
TGFBR1 P36897 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
SCHEMBL19645568 0.91 CLK2 (0.49) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19216436 0.91 CLK2 (0.48) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19860573 0.90 CLK2 (0.45) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20179039 0.89 WNT1 (0.42) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19860568 0.89 CLK2 (0.49) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20747741 0.89 CLK2 (0.48) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20747757 0.88 CLK2 (0.61) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17569251 0.88 CLK2 (0.57) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19216459 0.87 CLK2 (0.46) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19860571 0.86 CLK2 (0.45) 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