SCHEMBL18484699

SCHEMBL18484699

CC(C)CC(=O)Nc1cccc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cncc5[nH]4)c3c2)c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CLK3 P49761 18/20 0.71
▸ DYRK1A Q13627 18/20 0.71
▸ CLK2 P49760 17/20 0.71
▸ CLK1 P49759 1/20 0.55
▸ GSK3B P49841 1/20 0.55
▸ DYRK2 Q92630 1/20 0.55
▸ CLK4 Q9HAZ1 1/20 0.55
▸ DYRK1B Q9Y463 1/20 0.55
▸ WNT1 P04628 3/20 0.51

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
SCHEMBL18448012 0.94 CLK2 (0.80) CLK3DYRK1ACLK2CLK1GSK3B
SCHEMBL18447438 0.89 CLK2 (0.72) CLK3DYRK1ACLK2CLK1GSK3B
SCHEMBL18448798 0.85 CLK2 (0.73) CLK3DYRK1ACLK2WNT1
SCHEMBL20452287 0.85 CLK2 (0.84) CLK3DYRK1ACLK2WNT1
SCHEMBL18452608 0.85 CLK2 (0.66) CLK3DYRK1ACLK2CLK1GSK3B
SCHEMBL18448070 0.85 CLK2 (0.80) CLK3DYRK1ACLK2WNT1
SCHEMBL18442438 0.84 CLK2 (0.67) CLK3DYRK1ACLK2WNT1
SCHEMBL20454708 0.84 CLK2 (0.82) CLK3DYRK1ACLK2WNT1
SCHEMBL18448306 0.84 CLK2 (0.78) CLK3DYRK1ACLK2WNT1
SCHEMBL18441275 0.84 CLK2 (0.70) CLK3DYRK1ACLK2WNT1

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 disclosed
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