SCHEMBL18478115

SCHEMBL18478115

C=C(CCCC)Nc1cncc(-c2cc3c(-c4cc5cnccc5[nH]4)n[nH]c3cn2)c1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 19/20 0.82
▸ CLK3 P49761 19/20 0.82
▸ DYRK1A Q13627 19/20 0.82
▸ WNT1 P04628 1/20 0.56

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
SCHEMBL18440168 0.90 CLK2 (1.00) CLK2CLK3DYRK1AWNT1
SCHEMBL18485112 0.88 CLK2 (0.64) CLK2CLK3DYRK1A
SCHEMBL18493962 0.88 CLK2 (0.64) CLK2CLK3DYRK1A
SCHEMBL18478931 0.88 CLK2 (0.82) CLK2CLK3DYRK1AWNT1
SCHEMBL18440537 0.87 CLK2 (0.92) CLK2CLK3DYRK1AWNT1
SCHEMBL18476072 0.86 CLK2 (0.70) CLK2CLK3DYRK1AWNT1
SCHEMBL18494754 0.85 CLK2 (0.62) CLK2CLK3DYRK1A
SCHEMBL18479165 0.85 CLK2 (0.81) CLK2CLK3DYRK1AWNT1
SCHEMBL18440472 0.85 CLK2 (0.84) CLK2CLK3DYRK1AWNT1
SCHEMBL18485835 0.84 CLK2 (0.67) 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-2017023984-A1 3-(1H-PYRROLO[3,2-C]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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