SCHEMBL901885

SCHEMBL901885

CC(C)(C)OC(=O)N1CCN(c2cc(-c3nc(Nc4cnccn4)cc4ccccc34)ccn2)C(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 3/20 0.39
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
GBA1 P04062 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
SYK P43405 3/20 0.38
USP30 Q70CQ3 3/20 0.38
ACHE P22303 2/20 0.38
BUB1 O43683 2/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
PRKCQ Q04759 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
SCHEMBL901704 0.88 CKS1B (0.48) KARS1CKS1BSKP1SKP2GBA1
SCHEMBL902855 0.84 KARS1 (0.40) KARS1CKS1BSKP1SKP2GBA1
SCHEMBL1704584 0.84 PARP1 (0.45) KARS1GPR119BUB1
SCHEMBL901300 0.81 KARS1 (0.49) KARS1SYK
SCHEMBL901702 0.79 KARS1 (0.51) KARS1
SCHEMBL902751 0.78 CKS1B (0.47) KARS1CKS1BSKP1SKP2GBA1
SCHEMBL1705250 0.77 ACHE (0.47) CKS1BSKP1SKP2GBA1GPR119
SCHEMBL902803 0.77 PDE10A (0.45) CCNT1CDK9
SCHEMBL901409 0.76 KARS1 (0.41) KARS1
SCHEMBL1704806 0.76 CKS1B (0.47) CKS1BSKP1SKP2GBA1GPR119

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