SCHEMBL18485691

SCHEMBL18485691

CN(C)CCNc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cccc(CN(C)C)c6)cc45)cc23)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 16/20 0.66
▸ DYRK1A Q13627 15/20 0.66
▸ CLK3 P49761 14/20 0.66
▸ WNT1 P04628 4/20 0.49

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
SCHEMBL18485690 0.91 CLK2 (0.57) CLK2DYRK1ACLK3WNT1
SCHEMBL18488112 0.91 CLK2 (0.57) CLK2DYRK1ACLK3WNT1
SCHEMBL20454924 0.91 CLK2 (0.74) CLK2DYRK1ACLK3WNT1
SCHEMBL20454975 0.88 CLK2 (0.60) CLK2DYRK1ACLK3WNT1
SCHEMBL18488110 0.88 CLK2 (0.59) CLK2DYRK1ACLK3WNT1
SCHEMBL18482653 0.87 CLK2 (0.70) CLK2DYRK1ACLK3WNT1
SCHEMBL20455057 0.86 CLK2 (0.62) CLK2DYRK1ACLK3WNT1
SCHEMBL20455247 0.86 CLK2 (0.55) CLK2DYRK1ACLK3WNT1
SCHEMBL20455166 0.86 CLK2 (0.57) CLK2DYRK1ACLK3WNT1
SCHEMBL18444810 0.85 CLK2 (0.62) CLK2DYRK1ACLK3WNT1

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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