SCHEMBL18448012

SCHEMBL18448012

CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cncc5[nH]4)c3c2)c1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 17/20 0.80
▸ CLK3 P49761 17/20 0.80
▸ DYRK1A Q13627 17/20 0.80
▸ WNT1 P04628 3/20 0.58
▸ CLK1 P49759 1/20 0.58
▸ GSK3B P49841 1/20 0.58
▸ DYRK2 Q92630 1/20 0.58
▸ CLK4 Q9HAZ1 1/20 0.58
▸ DYRK1B Q9Y463 1/20 0.58

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
SCHEMBL18484699 0.94 CLK3 (0.71) CLK2CLK3DYRK1AWNT1CLK1
SCHEMBL18447438 0.93 CLK2 (0.72) CLK2CLK3DYRK1AWNT1CLK1
SCHEMBL18448798 0.92 CLK2 (0.73) CLK2CLK3DYRK1AWNT1
SCHEMBL18452608 0.91 CLK2 (0.66) CLK2CLK3DYRK1AWNT1CLK1
SCHEMBL18448070 0.91 CLK2 (0.80) CLK2CLK3DYRK1AWNT1
SCHEMBL20454708 0.90 CLK2 (0.82) CLK2CLK3DYRK1AWNT1
SCHEMBL18448306 0.90 CLK2 (0.78) CLK2CLK3DYRK1AWNT1
SCHEMBL20452287 0.90 CLK2 (0.84) CLK2CLK3DYRK1AWNT1
SCHEMBL18441275 0.90 CLK2 (0.70) CLK2CLK3DYRK1AWNT1
SCHEMBL18447461 0.90 CLK2 (0.66) CLK2CLK3DYRK1AWNT1

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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