SCHEMBL18482391

SCHEMBL18482391

C=C(CCC)Nc1cncc(-c2cnc3[nH]nc(-c4cc5ccccc5[nH]4)c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 18/20 0.54
▸ CLK3 P49761 18/20 0.54
▸ DYRK1A Q13627 18/20 0.54
▸ ITK Q08881 2/20 0.43

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
SCHEMBL18494754 0.90 CLK2 (0.62) CLK2CLK3DYRK1A
SCHEMBL18484683 0.90 CLK2 (0.51) CLK2CLK3DYRK1AITK
SCHEMBL18453477 0.89 CLK2 (0.65) CLK2CLK3DYRK1AITK
SCHEMBL18453850 0.88 CLK2 (0.70) CLK2CLK3DYRK1AITK
SCHEMBL18493962 0.87 CLK2 (0.64) CLK2CLK3DYRK1A
SCHEMBL18482867 0.86 CLK2 (0.47) CLK2CLK3DYRK1AITK
SCHEMBL18453459 0.86 CLK2 (0.60) CLK2CLK3DYRK1AITK
SCHEMBL18482864 0.85 CLK3 (0.57) CLK2CLK3DYRK1A
SCHEMBL18488382 0.84 CLK2 (0.59) CLK2CLK3DYRK1A
SCHEMBL18453364 0.83 CLK2 (0.56) CLK2CLK3DYRK1AITK

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-2017023973-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
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