SCHEMBL19645547

SCHEMBL19645547

CC(C)CC(O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 13/20 0.62
CLK3 P49761 13/20 0.62
DYRK1A Q13627 13/20 0.62
WNT1 P04628 8/20 0.56

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
SCHEMBL19645546 0.93 CLK2 (0.61) CLK2CLK3DYRK1AWNT1
SCHEMBL17587069 0.90 CLK2 (0.75) CLK2CLK3DYRK1AWNT1
SCHEMBL19645516 0.89 CLK2 (0.52) CLK2CLK3DYRK1AWNT1
SCHEMBL19645532 0.88 CLK2 (0.62) CLK2CLK3DYRK1AWNT1
SCHEMBL19645512 0.87 CLK2 (0.81) CLK2CLK3DYRK1AWNT1
SCHEMBL17587057 0.86 CLK2 (0.71) CLK2CLK3DYRK1AWNT1
SCHEMBL19363526 0.86 CLK2 (0.50) CLK2CLK3DYRK1AWNT1
SCHEMBL20439303 0.85 CLK2 (0.67) CLK2CLK3DYRK1AWNT1
SCHEMBL17587066 0.85 WNT1 (0.76) CLK2CLK3DYRK1AWNT1
SCHEMBL19860586 0.84 CLK2 (0.46) CLK2CLK3DYRK1AWNT1

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-9828372-B2 2-(1H-indazol-3-yl)-1H-imidazo[4,5-C]pyridine and therapeutic uses thereof SAMUMED, LLC (US) 2017-11-28 US disclosed