SCHEMBL19645606

SCHEMBL19645606

CCCCC(O)Nc1cncc(-c2cc3c(-c4nc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)nccc5[nH]4)n[nH]c3cc2F)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 10/20 0.61
CLK3 P49761 10/20 0.61
DYRK1A Q13627 10/20 0.61
WNT1 P04628 11/20 0.57
TGFBR1 P36897 6/20 0.55

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
SCHEMBL19645605 0.91 CLK2 (0.64) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17596880 0.90 CLK2 (0.67) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19356520 0.90 CLK2 (0.58) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19645560 0.90 CLK2 (0.61) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20747776 0.89 CLK2 (0.56) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17597505 0.89 WNT1 (0.67) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17597177 0.88 WNT1 (0.71) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19645580 0.87 CLK2 (0.51) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19363538 0.87 WNT1 (0.67) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17596994 0.87 WNT1 (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