SCHEMBL19645546

SCHEMBL19645546

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

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 12/20 0.61
DYRK1A Q13627 12/20 0.61
CLK3 P49761 11/20 0.61
WNT1 P04628 9/20 0.57
TGFBR1 P36897 1/20 0.49

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
SCHEMBL19645547 0.93 CLK2 (0.62) CLK2DYRK1ACLK3WNT1
SCHEMBL17587069 0.90 CLK2 (0.75) CLK2DYRK1ACLK3WNT1
SCHEMBL20244185 0.89 CLK2 (0.76) CLK2DYRK1ACLK3WNT1
SCHEMBL17587059 0.86 CLK2 (0.80) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL17583412 0.86 WNT1 (0.77) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL19645499 0.85 CLK2 (0.69) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL19363564 0.85 CLK2 (0.53) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL19645614 0.85 CLK2 (0.66) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL17587066 0.85 WNT1 (0.76) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL17587057 0.84 CLK2 (0.71) CLK2DYRK1ACLK3WNT1

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