SCHEMBL19645514

SCHEMBL19645514

CC(C)CC(O)Nc1cncc(-c2cc(F)c3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 15/20 0.55
CLK3 P49761 15/20 0.55
DYRK1A Q13627 15/20 0.55
WNT1 P04628 6/20 0.50
CLK1 P49759 1/20 0.50
GSK3B P49841 1/20 0.50
DYRK2 Q92630 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
TGFBR1 P36897 2/20 0.46

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
SCHEMBL19216451 0.92 CLK2 (0.57) CLK2CLK3DYRK1AWNT1CLK1
SCHEMBL19356524 0.91 CLK2 (0.54) CLK2CLK3DYRK1AWNT1CLK1
SCHEMBL17587218 0.91 CLK2 (0.61) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19354885 0.88 CLK2 (0.57) CLK2CLK3DYRK1AWNT1CLK1
SCHEMBL17587214 0.87 CLK2 (0.67) CLK2CLK3DYRK1AWNT1CLK1
SCHEMBL19645571 0.87 CLK2 (0.55) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17587212 0.86 WNT1 (0.66) CLK2CLK3DYRK1AWNT1CLK1
SCHEMBL19363294 0.84 CLK2 (0.56) CLK2CLK3DYRK1AWNT1CLK1
SCHEMBL17587204 0.84 CLK2 (0.69) CLK2CLK3DYRK1AWNT1CLK1
SCHEMBL19645556 0.84 CLK2 (0.53) 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