SCHEMBL1704933

SCHEMBL1704933

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.53
SYK P43405 2/20 0.45
GPR119 Q8TDV5 2/20 0.45
TBK1 Q9UHD2 1/20 0.44
PRKD1 Q15139 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL1704555 0.91 KARS1 (0.46) KARS1SYKTBK1JAK2JAK1
SCHEMBL901333 0.89 KARS1 (0.65) KARS1SYKGPR119TBK1
SCHEMBL1704732 0.88 KARS1 (0.52) KARS1SYKGPR119TBK1
SCHEMBL1704453 0.88 KARS1 (0.52) KARS1SYKGPR119TBK1
SCHEMBL901508 0.88 KARS1 (0.56) KARS1SYKGPR119TBK1
SCHEMBL1704341 0.88 KARS1 (0.55) KARS1SYKGPR119
SCHEMBL902995 0.88 KARS1 (0.67) KARS1SYKGPR119TBK1
SCHEMBL902013 0.87 KARS1 (0.58) KARS1PRKD1PRKD2JAK2JAK1
SCHEMBL1705215 0.87 KARS1 (0.62) KARS1SYKGPR119TBK1
SCHEMBL902972 0.87 KARS1 (0.51) KARS1SYKGPR119TBK1

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