SCHEMBL18437330

SCHEMBL18437330

CN(C)CCNc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ncc(-c6cncc(CN(S(C)(=O)=O)S(C)(=O)=O)c6)cc45)cc23)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 19/20 0.55
▸ CLK3 P49761 18/20 0.55
▸ DYRK1A Q13627 18/20 0.55
▸ WNT1 P04628 1/20 0.47

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
SCHEMBL20451966 0.92 CLK2 (0.65) CLK2CLK3DYRK1AWNT1
SCHEMBL18440388 0.90 CLK2 (0.63) CLK2CLK3DYRK1AWNT1
SCHEMBL18437288 0.87 CLK2 (0.64) CLK2CLK3DYRK1AWNT1
SCHEMBL20451799 0.86 CLK2 (0.55) CLK2CLK3DYRK1AWNT1
SCHEMBL20452173 0.86 CLK2 (0.57) CLK2CLK3DYRK1AWNT1
SCHEMBL18494726 0.86 CLK2 (0.65) CLK2CLK3DYRK1AWNT1
SCHEMBL20469513 0.86 CLK2 (0.65) CLK2CLK3DYRK1AWNT1
SCHEMBL18437429 0.85 CLK2 (0.55) CLK2CLK3DYRK1AWNT1
SCHEMBL18437357 0.85 CLK2 (0.61) CLK2CLK3DYRK1AWNT1
SCHEMBL20454924 0.85 CLK2 (0.74) CLK2CLK3DYRK1AWNT1

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-2017023987-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO claimed
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