SCHEMBL901333

SCHEMBL901333

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

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.65
SYK P43405 2/20 0.46
GPR119 Q8TDV5 1/20 0.46
TBK1 Q9UHD2 1/20 0.43
LRRK2 Q5S007 1/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
KIT P10721 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
SCHEMBL1704675 0.90 KARS1 (0.51) KARS1SYKGPR119TBK1
SCHEMBL901508 0.89 KARS1 (0.56) KARS1SYKGPR119TBK1LRRK2
SCHEMBL902995 0.89 KARS1 (0.67) KARS1SYKGPR119TBK1LRRK2
SCHEMBL1704732 0.89 KARS1 (0.52) KARS1SYKGPR119TBK1LRRK2
SCHEMBL1704453 0.89 KARS1 (0.52) KARS1SYKGPR119TBK1LRRK2
SCHEMBL1704341 0.89 KARS1 (0.55) KARS1SYKGPR119CKS1BSKP1
SCHEMBL1704297 0.89 SYK (0.53) KARS1SYKTBK1LRRK2CKS1B
SCHEMBL1705215 0.89 KARS1 (0.62) KARS1SYKGPR119TBK1LRRK2
SCHEMBL1704262 0.89 KARS1 (0.51) KARS1SYKGPR119TBK1
SCHEMBL902972 0.89 KARS1 (0.51) KARS1SYKGPR119TBK1LRRK2

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 3 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
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