SCHEMBL18480893

SCHEMBL18480893

CN(C)Cc1cccc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3n2)c1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 17/20 0.72
DYRK1A Q13627 15/20 0.72
CLK3 P49761 14/20 0.72
TGFBR1 P36897 4/20 0.56
WNT1 P04628 3/20 0.56

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
SCHEMBL18438640 0.92 CLK2 (0.82) CLK2DYRK1ACLK3TGFBR1WNT1
SCHEMBL18476103 0.91 CLK2 (0.76) CLK2DYRK1ACLK3TGFBR1WNT1
SCHEMBL18480522 0.87 CLK2 (0.67) CLK2DYRK1ACLK3TGFBR1WNT1
SCHEMBL20453137 0.84 CLK2 (0.79) CLK2DYRK1ACLK3TGFBR1WNT1
SCHEMBL18438519 0.84 CLK2 (0.71) CLK2DYRK1ACLK3TGFBR1WNT1
SCHEMBL18438294 0.84 CLK2 (1.00) CLK2DYRK1ACLK3TGFBR1WNT1
SCHEMBL18438752 0.83 CLK2 (0.79) CLK2DYRK1ACLK3TGFBR1WNT1
SCHEMBL21284002 0.83 CLK2 (0.76) CLK2DYRK1ACLK3TGFBR1WNT1
SCHEMBL18438098 0.83 CLK2 (0.63) CLK2DYRK1ACLK3TGFBR1WNT1
SCHEMBL18438556 0.83 CLK2 (0.74) CLK2DYRK1ACLK3TGFBR1WNT1

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-2017023989-A1 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 WO disclosed