SCHEMBL18480522

SCHEMBL18480522

CN(C)CCNc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cccc(CN(C)C)c6)nc45)nc23)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 15/20 0.67
CLK3 P49761 13/20 0.67
DYRK1A Q13627 13/20 0.67
WNT1 P04628 6/20 0.61
TGFBR1 P36897 6/20 0.61

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
SCHEMBL21283933 0.93 CLK2 (0.77) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18480517 0.91 WNT1 (0.64) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18480884 0.90 CLK2 (0.63) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18438332 0.89 CLK2 (0.68) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18438649 0.89 CLK2 (0.77) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18438921 0.89 CLK2 (0.67) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18438727 0.87 CLK2 (0.65) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18480881 0.87 CLK2 (0.63) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18480893 0.87 CLK2 (0.72) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18438331 0.87 WNT1 (0.73) 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-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