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SCHEMBL1704302

SCHEMBL1704302

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(NS(=O)(=O)c4ccccc4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 13/20 0.55
▸ CKS1B P61024 2/20 0.43
▸ SKP1 P63208 2/20 0.43
▸ SKP2 Q13309 2/20 0.43
▸ GPR119 Q8TDV5 1/20 0.42
▸ SYK P43405 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ TGFBR1 P36897 1/20 0.40

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
SCHEMBL1704596 0.91 KARS1 (0.48) KARS1SYKTGFBR1
SCHEMBL1704350 0.90 KARS1 (0.47) KARS1GPR119SYKTGFBR1
SCHEMBL901995 0.90 KARS1 (0.60) KARS1
SCHEMBL902995 0.87 KARS1 (0.67) KARS1CKS1BSKP1SKP2GPR119
SCHEMBL1704341 0.87 KARS1 (0.55) KARS1CKS1BSKP1SKP2GPR119
SCHEMBL1704251 0.87 KARS1 (0.73) KARS1CKS1BSKP1SKP2GPR119
SCHEMBL1705215 0.86 KARS1 (0.62) KARS1CKS1BSKP1SKP2GPR119
SCHEMBL902682 0.85 KARS1 (0.62) KARS1CKS1BSKP1SKP2GPR119
SCHEMBL901759 0.84 KARS1 (0.54) KARS1CKS1BSKP1SKP2GPR119
SCHEMBL901508 0.84 KARS1 (0.56) KARS1CKS1BSKP1SKP2GPR119

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
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 — — EP disclosed