SCHEMBL1705115

SCHEMBL1705115

CC(C)(C)OC(=O)N1CC=C(c2cccc(-c3cc(NC(=O)c4ccccc4)cc(Nc4cnccn4)n3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 9/20 0.55
NAMPT P43490 1/20 0.44
GRM5 P41594 3/20 0.42
GRM1 Q13255 3/20 0.42
WNT3A P56704 1/20 0.41
PDE10A Q9Y233 2/20 0.40
JAK1 P23458 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
SCHEMBL1704574 0.94 KARS1 (0.48) KARS1NAMPTGRM5GRM1WNT3A
SCHEMBL1704352 0.90 GRM1 (0.46) KARS1NAMPTGRM5GRM1WNT3A
SCHEMBL901769 0.90 KARS1 (0.60) KARS1NAMPTJAK1
SCHEMBL1704307 0.90 KARS1 (0.49) KARS1NAMPT
SCHEMBL1705279 0.86 GRM1 (0.47) KARS1NAMPTGRM5GRM1WNT3A
SCHEMBL902876 0.85 KARS1 (0.43) KARS1NAMPTGRM5GRM1WNT3A
SCHEMBL902874 0.85 KARS1 (0.43) KARS1NAMPTGRM5GRM1WNT3A
SCHEMBL1704897 0.84 KARS1 (0.42) KARS1NAMPTGRM5GRM1WNT3A
SCHEMBL1704251 0.83 KARS1 (0.73) KARS1
SCHEMBL902803 0.81 PDE10A (0.45) NAMPTGRM5GRM1PDE10AJAK1

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