SCHEMBL19645516

SCHEMBL19645516

CC(C)CC(O)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccsc6)nccc5[nH]4)n[nH]c3cc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 13/20 0.52
CLK3 P49761 13/20 0.52
DYRK1A Q13627 13/20 0.52
WNT1 P04628 8/20 0.48
TGFBR1 P36897 5/20 0.48

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
SCHEMBL20439288 0.91 CLK2 (0.51) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17587856 0.91 CLK2 (0.58) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19263374 0.90 WNT1 (0.54) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19645547 0.89 CLK2 (0.62) CLK2CLK3DYRK1AWNT1
SCHEMBL19354885 0.88 CLK2 (0.57) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17587857 0.87 WNT1 (0.57) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19860586 0.87 CLK2 (0.46) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19363526 0.86 CLK2 (0.50) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17587852 0.86 WNT1 (0.66) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17587883 0.84 CLK2 (0.65) 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-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