SCHEMBL18487682

SCHEMBL18487682

C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5ncccc5[nH]4)c3c2)c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 18/20 0.60
▸ CLK3 P49761 18/20 0.60
▸ DYRK1A Q13627 18/20 0.60
▸ WNT1 P04628 2/20 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
SCHEMBL18445980 0.90 CLK2 (0.75) CLK2CLK3DYRK1AWNT1
SCHEMBL18487120 0.88 CLK2 (0.61) CLK2CLK3DYRK1AWNT1
SCHEMBL18490002 0.86 CLK2 (0.59) CLK2CLK3DYRK1AWNT1
SCHEMBL18486997 0.85 CLK3 (0.82) CLK2CLK3DYRK1A
SCHEMBL18487155 0.84 CLK2 (0.63) CLK2CLK3DYRK1AWNT1
SCHEMBL18446995 0.84 CLK2 (0.75) CLK2CLK3DYRK1AWNT1
SCHEMBL18485091 0.83 CLK2 (0.68) CLK2CLK3DYRK1A
SCHEMBL18480331 0.83 CLK2 (0.71) CLK2CLK3DYRK1AWNT1
SCHEMBL18447654 0.82 CLK2 (0.73) CLK2CLK3DYRK1AWNT1
SCHEMBL18446850 0.82 CLK2 (0.68) 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-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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