SCHEMBL18494754

SCHEMBL18494754

C=C(CCC)Nc1cncc(-c2cnc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 20/20 0.62
▸ CLK3 P49761 20/20 0.62
▸ DYRK1A Q13627 20/20 0.62

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
SCHEMBL18493962 0.97 CLK2 (0.64) CLK2CLK3DYRK1A
SCHEMBL18488382 0.94 CLK2 (0.59) CLK2CLK3DYRK1A
SCHEMBL18482391 0.90 CLK2 (0.54) CLK2CLK3DYRK1A
SCHEMBL18485835 0.90 CLK2 (0.67) CLK2CLK3DYRK1A
SCHEMBL18493959 0.90 CLK2 (0.63) CLK2CLK3DYRK1A
SCHEMBL18437137 0.90 CLK3 (0.73) CLK2CLK3DYRK1A
SCHEMBL18437167 0.88 CLK2 (0.79) CLK2CLK3DYRK1A
SCHEMBL18485112 0.88 CLK2 (0.64) CLK2CLK3DYRK1A
SCHEMBL18437169 0.87 CLK2 (0.74) CLK2CLK3DYRK1A
SCHEMBL18478115 0.85 CLK2 (0.82) 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-2017023987-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
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