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SCHEMBL1704339

SCHEMBL1704339

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(NCC(CC(=O)O)Cc4ccccc4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 13/20 0.50
▸ ACHE P22303 1/20 0.43
▸ CKS1B P61024 2/20 0.39
▸ SKP1 P63208 2/20 0.39
▸ SKP2 Q13309 2/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ WNT3A P56704 1/20 0.38

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
SCHEMBL1704423 0.95 KARS1 (0.49) KARS1ACHECKS1BSKP1SKP2
SCHEMBL902078 0.87 KARS1 (0.52) KARS1
SCHEMBL901759 0.87 KARS1 (0.54) KARS1ACHECKS1BSKP1SKP2
SCHEMBL1704895 0.87 KARS1 (0.67) KARS1
SCHEMBL1704481 0.86 KARS1 (0.55) KARS1ACHECKS1BSKP1SKP2
SCHEMBL1704577 0.86 KARS1 (0.56) KARS1ACHECKS1BSKP1SKP2
SCHEMBL1704582 0.85 KARS1 (0.53) KARS1ACHECKS1BSKP1SKP2
SCHEMBL1704353 0.85 KARS1 (0.55) KARS1ACHECKS1BSKP1SKP2
SCHEMBL902630 0.84 KARS1 (0.52) KARS1ACHECKS1BSKP1SKP2
SCHEMBL1704636 0.84 KARS1 (0.52) KARS1ACHECKS1BSKP1SKP2

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