SCHEMBL18486184

SCHEMBL18486184

C=C(CN(C)C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3n2)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 17/20 0.71
CLK3 P49761 16/20 0.71
DYRK1A Q13627 16/20 0.71
WNT1 P04628 3/20 0.59
TGFBR1 P36897 1/20 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
SCHEMBL18487401 0.92 CLK2 (0.70) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18486185 0.91 CLK2 (0.71) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18478742 0.91 CLK2 (0.71) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18474632 0.90 CLK2 (0.62) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18487701 0.90 CLK2 (0.68) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18449028 0.86 CLK2 (0.79) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18486959 0.85 CLK2 (0.69) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18450451 0.85 CLK2 (0.85) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18449747 0.84 CLK2 (0.70) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18449706 0.84 CLK2 (0.70) 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
WO-2017023972-A1 3-(1H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 WO disclosed