SCHEMBL18488102

SCHEMBL18488102

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

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 18/20 0.65
▸ CLK3 P49761 18/20 0.65
▸ DYRK1A Q13627 18/20 0.65
▸ ITK Q08881 2/20 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
SCHEMBL18485126 0.91 CLK2 (0.68) CLK2CLK3DYRK1A
SCHEMBL18487482 0.90 CLK2 (0.59) CLK2CLK3DYRK1AITK
SCHEMBL18487109 0.89 CLK2 (0.71) CLK2CLK3DYRK1AITK
SCHEMBL18446059 0.89 CLK2 (0.70) CLK2CLK3DYRK1AITK
SCHEMBL18447170 0.86 CLK2 (0.75) CLK2CLK3DYRK1AITK
SCHEMBL18487120 0.86 CLK2 (0.61) CLK2CLK3DYRK1AITK
SCHEMBL18485835 0.85 CLK2 (0.67) CLK2CLK3DYRK1A
SCHEMBL18482980 0.85 CLK2 (0.62) CLK2CLK3DYRK1A
SCHEMBL18446831 0.84 CLK2 (0.82) CLK2CLK3DYRK1AITK
SCHEMBL18446463 0.84 CLK2 (0.73) 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-2017023986-A1 3-(1H-INDOL-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2017-02-09 — — WO disclosed
Send feedback