SCHEMBL18487120

SCHEMBL18487120

C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5ccccc5[nH]4)c3c2)c1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 16/20 0.61
▸ CLK3 P49761 16/20 0.61
▸ DYRK1A Q13627 16/20 0.61
▸ ITK Q08881 2/20 0.57
▸ WNT1 P04628 2/20 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
SCHEMBL18446680 0.89 CLK2 (0.74) CLK2CLK3DYRK1AITKWNT1
SCHEMBL18487682 0.88 CLK2 (0.60) CLK2CLK3DYRK1AWNT1
SCHEMBL18494262 0.87 CLK2 (0.70) CLK2CLK3DYRK1AITKWNT1
SCHEMBL18487109 0.86 CLK2 (0.71) CLK2CLK3DYRK1AITKWNT1
SCHEMBL18488102 0.86 CLK2 (0.65) CLK2CLK3DYRK1AITK
SCHEMBL18490002 0.85 CLK2 (0.59) CLK2CLK3DYRK1AWNT1
SCHEMBL18486997 0.84 CLK3 (0.82) CLK2CLK3DYRK1A
SCHEMBL18487122 0.84 CLK2 (0.69) CLK2CLK3DYRK1AITKWNT1
SCHEMBL18487482 0.84 CLK2 (0.59) CLK2CLK3DYRK1AITKWNT1
SCHEMBL18485091 0.84 CLK2 (0.68) CLK2CLK3DYRK1A

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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