SCHEMBL18486997

SCHEMBL18486997

C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)nccc5[nH]4)c3c2)c1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CLK3 P49761 20/20 0.82
▸ DYRK1A Q13627 20/20 0.82
▸ CLK2 P49760 19/20 0.82

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
SCHEMBL18485091 0.91 CLK2 (0.68) CLK3DYRK1ACLK2
SCHEMBL20455121 0.90 CLK2 (1.00) CLK3DYRK1ACLK2
SCHEMBL18487682 0.85 CLK2 (0.60) CLK3DYRK1ACLK2
SCHEMBL20454687 0.85 CLK2 (0.78) CLK3DYRK1ACLK2
SCHEMBL18487003 0.85 CLK2 (0.69) CLK3DYRK1ACLK2
SCHEMBL18487120 0.84 CLK2 (0.61) CLK3DYRK1ACLK2
SCHEMBL18480331 0.84 CLK2 (0.71) CLK3DYRK1ACLK2
SCHEMBL18490002 0.84 CLK2 (0.59) CLK3DYRK1ACLK2
SCHEMBL20455063 0.83 CLK2 (0.77) CLK3DYRK1ACLK2
SCHEMBL20454740 0.83 CLK2 (0.82) CLK3DYRK1ACLK2

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-2017024010-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
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