SCHEMBL902904

SCHEMBL902904

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(N[C@H]4CC[C@H](O)CC4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.57
SYK P43405 3/20 0.49
GPR119 Q8TDV5 2/20 0.48
FLT3 P36888 1/20 0.45
TYRO3 Q06418 1/20 0.45
MERTK Q12866 1/20 0.45
GAS6 Q14393 1/20 0.45
TBK1 Q9UHD2 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
SCHEMBL902022 0.94 KARS1 (0.57) KARS1SYKGPR119
SCHEMBL1704775 0.93 KARS1 (0.57) KARS1SYKGPR119
SCHEMBL902995 0.89 KARS1 (0.67) KARS1SYKGPR119TBK1
SCHEMBL1705215 0.88 KARS1 (0.62) KARS1SYKGPR119TBK1
SCHEMBL902684 0.88 KARS1 (0.61) KARS1SYK
SCHEMBL1704902 0.88 KARS1 (0.73) KARS1SYKGPR119
SCHEMBL1705093 0.88 KARS1 (0.53) KARS1SYKGPR119TBK1
SCHEMBL902572 0.85 KARS1 (0.69) KARS1SYKGPR119
SCHEMBL902991 0.85 KARS1 (0.67) KARS1SYKGPR119
SCHEMBL1705200 0.85 KARS1 (0.78) KARS1SYKGPR119

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