SCHEMBL1704968

SCHEMBL1704968

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(NC(=O)N4CCc5ccccc5C4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.54
NAMPT P43490 5/20 0.46
USP30 Q70CQ3 1/20 0.43
GPR119 Q8TDV5 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
SCHEMBL901966 0.90 KARS1 (0.61) KARS1NAMPT
SCHEMBL1705215 0.87 KARS1 (0.62) KARS1GPR119
SCHEMBL902898 0.87 KARS1 (0.72) KARS1NAMPT
SCHEMBL1704251 0.86 KARS1 (0.73) KARS1GPR119
SCHEMBL902995 0.85 KARS1 (0.67) KARS1GPR119
SCHEMBL902682 0.84 KARS1 (0.62) KARS1GPR119
SCHEMBL1705312 0.84 KARS1 (0.73) KARS1GPR119
SCHEMBL1704902 0.84 KARS1 (0.73) KARS1GPR119
SCHEMBL902673 0.84 KARS1 (0.65) KARS1GPR119
SCHEMBL1704267 0.84 KARS1 (0.63) KARS1GPR119

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