SCHEMBL19645560

SCHEMBL19645560

CS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cncc(NC(O)c7ccccc7)c6)cc45)nc23)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 9/20 0.61
CLK3 P49761 9/20 0.61
DYRK1A Q13627 9/20 0.61
WNT1 P04628 12/20 0.58
TGFBR1 P36897 6/20 0.57

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 0.91 CLK2 (0.67) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19645606 0.90 CLK2 (0.61) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17596925 0.88 WNT1 (0.72) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17597008 0.88 CLK2 (0.70) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17597643 0.87 CLK2 (0.66) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17596960 0.87 WNT1 (0.70) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17597453 0.86 CLK2 (0.72) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17596994 0.86 WNT1 (0.65) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17597141 0.86 CLK2 (0.71) 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