SCHEMBL18487014

SCHEMBL18487014

CCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3n2)c1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 20/20 0.83
CLK3 P49761 19/20 0.83
DYRK1A Q13627 19/20 0.83

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
SCHEMBL18449596 0.92 CLK2 (0.78) CLK2CLK3DYRK1A
SCHEMBL18448898 0.91 CLK2 (1.00) CLK2CLK3DYRK1A
SCHEMBL18480597 0.89 CLK2 (0.83) CLK2CLK3DYRK1A
SCHEMBL18487422 0.89 CLK2 (0.80) CLK2CLK3DYRK1A
SCHEMBL18449340 0.88 CLK2 (0.75) CLK2CLK3DYRK1A
SCHEMBL18449400 0.87 CLK2 (0.78) CLK2CLK3DYRK1A
SCHEMBL18487702 0.87 CLK2 (0.79) CLK2CLK3DYRK1A
SCHEMBL18487421 0.87 CLK2 (1.00) CLK2CLK3DYRK1A
SCHEMBL20453607 0.87 CLK2 (0.80) CLK2CLK3DYRK1A
SCHEMBL18449739 0.86 CLK2 (0.80) CLK2CLK3DYRK1A

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