SCHEMBL18447920

SCHEMBL18447920

O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1)c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CLK3 P49761 20/20 0.84
▸ DYRK1A Q13627 20/20 0.84
▸ CLK2 P49760 19/20 0.84
▸ CLK1 P49759 1/20 0.56
▸ GSK3B P49841 1/20 0.56
▸ DYRK2 Q92630 1/20 0.56
▸ CLK4 Q9HAZ1 1/20 0.56
▸ DYRK1B Q9Y463 1/20 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
SCHEMBL18446173 0.94 CLK2 (0.73) CLK3DYRK1ACLK2
SCHEMBL18448952 0.93 CLK3 (0.85) CLK3DYRK1ACLK2
SCHEMBL18451312 0.91 CLK2 (0.69) CLK3DYRK1ACLK2
SCHEMBL18447889 0.91 CLK3 (1.00) CLK3DYRK1ACLK2
SCHEMBL18447812 0.91 CLK3 (0.79) CLK3DYRK1ACLK2
SCHEMBL18484712 0.90 CLK3 (0.78) CLK3DYRK1ACLK2
SCHEMBL18448443 0.90 CLK3 (0.87) CLK3DYRK1ACLK2
SCHEMBL20452436 0.89 CLK2 (0.78) CLK3DYRK1ACLK2
SCHEMBL18441622 0.89 CLK2 (0.78) CLK3DYRK1ACLK2
SCHEMBL20455243 0.89 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-2017024013-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO claimed
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