SCHEMBL18484683

SCHEMBL18484683

C=C(CC(C)(C)C)Nc1cncc(-c2cnc3[nH]nc(-c4cc5ccccc5[nH]4)c3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 16/20 0.51
▸ CLK3 P49761 16/20 0.51
▸ DYRK1A Q13627 16/20 0.51
▸ WNT1 P04628 3/20 0.47
▸ TGFBR1 P36897 1/20 0.45
▸ ITK Q08881 1/20 0.42

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
SCHEMBL18493959 0.91 CLK2 (0.63) CLK2CLK3DYRK1AWNT1
SCHEMBL18452934 0.90 CLK2 (0.64) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18487482 0.90 CLK2 (0.59) CLK2CLK3DYRK1AWNT1ITK
SCHEMBL18482391 0.90 CLK2 (0.54) CLK2CLK3DYRK1AITK
SCHEMBL18482867 0.89 CLK2 (0.47) CLK2CLK3DYRK1AWNT1ITK
SCHEMBL18494677 0.86 CLK2 (0.69) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18482637 0.86 CLK2 (0.56) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18482865 0.85 CLK2 (0.52) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18453364 0.85 CLK2 (0.56) CLK2CLK3DYRK1AWNT1ITK
SCHEMBL18483427 0.84 CLK2 (0.54) CLK2CLK3DYRK1AWNT1TGFBR1

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-2017023973-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
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