SCHEMBL18475702

SCHEMBL18475702

C=C(CC(C)C)Nc1cncc(-c2cc3c(-c4cc5cccnc5[nH]4)n[nH]c3cn2)c1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 16/20 0.82
▸ CLK3 P49761 16/20 0.82
▸ DYRK1A Q13627 16/20 0.82
▸ WNT1 P04628 5/20 0.58
▸ TGFBR1 P36897 1/20 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
SCHEMBL18494566 0.91 CLK2 (0.68) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18440898 0.90 CLK2 (1.00) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18478108 0.86 CLK2 (0.66) CLK2CLK3DYRK1AWNT1
SCHEMBL18440825 0.86 CLK2 (0.80) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18440657 0.84 CLK2 (0.75) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL24843908 0.84 CLK2 (0.73) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18440801 0.84 CLK2 (0.83) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18441051 0.83 CLK2 (0.82) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18474799 0.83 CLK2 (0.81) CLK2CLK3DYRK1AWNT1
SCHEMBL18440772 0.83 CLK2 (0.76) 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-2017023980-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
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