SCHEMBL902874

SCHEMBL902874

CC(C)(C)OC(=O)N1CC=C(c2cccc(-c3cc(NC(=O)C[C@H](Cc4ccccc4)C(=O)O)cc(Nc4cnccn4)n3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 7/20 0.43
WNT3A P56704 1/20 0.42
NAMPT P43490 1/20 0.39
GRM5 P41594 3/20 0.38
GRM1 Q13255 3/20 0.38
PDE10A Q9Y233 2/20 0.36
PDK4 Q16654 1/20 0.36
JAK1 P23458 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL902876 1.00 KARS1 (0.43) KARS1WNT3ANAMPTGRM5GRM1
SCHEMBL1704897 0.95 KARS1 (0.42) KARS1WNT3ANAMPTGRM5GRM1
SCHEMBL901335 0.87 KARS1 (0.44) KARS1WNT3ANAMPT
SCHEMBL1705115 0.85 KARS1 (0.55) KARS1WNT3ANAMPTGRM5GRM1
SCHEMBL1704577 0.85 KARS1 (0.56) KARS1WNT3A
SCHEMBL1704352 0.84 GRM1 (0.46) KARS1WNT3ANAMPTGRM5GRM1
SCHEMBL1755672 0.81 KARS1 (0.49) KARS1WNT3A
SCHEMBL1704574 0.81 KARS1 (0.48) KARS1WNT3ANAMPTGRM5GRM1
SCHEMBL1705279 0.81 GRM1 (0.47) KARS1WNT3ANAMPTGRM5GRM1
SCHEMBL1704353 0.80 KARS1 (0.55) KARS1WNT3A

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 2 patents. 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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed