SCHEMBL18489999

SCHEMBL18489999

C=C(CC(C)(C)C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CLK3 P49761 19/20 0.70
▸ DYRK1A Q13627 19/20 0.70
▸ CLK2 P49760 18/20 0.70
▸ WNT1 P04628 1/20 0.53

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
SCHEMBL18487663 0.92 CLK2 (0.59) CLK3DYRK1ACLK2WNT1
SCHEMBL18445965 0.91 CLK2 (0.70) CLK3DYRK1ACLK2WNT1
SCHEMBL18446583 0.86 CLK3 (0.73) CLK3DYRK1ACLK2WNT1
SCHEMBL18487482 0.86 CLK2 (0.59) CLK3DYRK1ACLK2WNT1
SCHEMBL18484733 0.85 CLK3 (0.58) CLK3DYRK1ACLK2WNT1
SCHEMBL18446184 0.85 CLK2 (0.75) CLK3DYRK1ACLK2
SCHEMBL18485356 0.84 CLK2 (0.65) CLK3DYRK1ACLK2WNT1
SCHEMBL18487442 0.84 CLK2 (0.69) CLK3DYRK1ACLK2WNT1
SCHEMBL20466155 0.84 CLK3 (0.78) CLK3DYRK1ACLK2WNT1
SCHEMBL18487653 0.84 CLK2 (0.69) 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-2017023986-A1 3-(1H-INDOL-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2017-02-09 — — WO disclosed
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