SCHEMBL19645589

SCHEMBL19645589

CC(C)(C)CC(O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)nccc5[nH]4)c3c2F)c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 10/20 0.59
CLK3 P49761 10/20 0.59
DYRK1A Q13627 10/20 0.59
WNT1 P04628 11/20 0.58
TGFBR1 P36897 6/20 0.52

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
SCHEMBL19645582 0.93 CLK2 (0.60) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19263400 0.92 WNT1 (0.60) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19356520 0.91 CLK2 (0.58) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17597059 0.91 CLK2 (0.64) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17596746 0.89 CLK2 (0.60) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17597275 0.88 WNT1 (0.67) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17596875 0.87 CLK2 (0.63) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19860549 0.87 CLK2 (0.63) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17597084 0.87 CLK2 (0.67) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19645568 0.87 CLK2 (0.49) 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