SCHEMBL901704

SCHEMBL901704

CC(C)(C)OC(=O)N1CCN(c2cc(-c3nc(Nc4cnccn4)cc4ccccc34)ccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.48
SKP1 P63208 2/20 0.48
SKP2 Q13309 2/20 0.48
ACHE P22303 2/20 0.46
KARS1 Q15046 10/20 0.45
GPR119 Q8TDV5 2/20 0.45
GBA1 P04062 1/20 0.45
KIT P10721 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
LRRK2 Q5S007 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
SCHEMBL902751 0.89 CKS1B (0.47) CKS1BSKP1SKP2ACHEKARS1
SCHEMBL1705250 0.89 ACHE (0.47) CKS1BSKP1SKP2ACHEGPR119
SCHEMBL902855 0.88 KARS1 (0.40) CKS1BSKP1SKP2ACHEKARS1
SCHEMBL901885 0.88 KARS1 (0.39) CKS1BSKP1SKP2ACHEKARS1
SCHEMBL901702 0.87 KARS1 (0.51) KARS1
SCHEMBL1704806 0.87 CKS1B (0.47) CKS1BSKP1SKP2ACHEGPR119
SCHEMBL1704427 0.87 KARS1 (0.44) KARS1
SCHEMBL1704246 0.85 CKS1B (0.45) CKS1BSKP1SKP2ACHEGPR119
SCHEMBL1704341 0.85 KARS1 (0.55) CKS1BSKP1SKP2ACHEKARS1
SCHEMBL1704340 0.83 KARS1 (0.64) CKS1BSKP1SKP2KARS1GPR119

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