SCHEMBL902836

SCHEMBL902836

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(CNC(=O)[C@H](CC(=O)O)Cc4ccccc4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.46
ACHE P22303 2/20 0.43
TBK1 Q9UHD2 2/20 0.40
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
SYK P43405 1/20 0.38

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
SCHEMBL901897 0.87 KARS1 (0.62) KARS1
SCHEMBL1704582 0.86 KARS1 (0.53) KARS1ACHETBK1CKS1BSKP1
SCHEMBL1704577 0.84 KARS1 (0.56) KARS1ACHETBK1CKS1BSKP1
SCHEMBL1704339 0.84 KARS1 (0.50) KARS1ACHETBK1CKS1BSKP1
SCHEMBL1704481 0.83 KARS1 (0.55) KARS1ACHETBK1CKS1BSKP1
SCHEMBL1704353 0.83 KARS1 (0.55) KARS1ACHETBK1CKS1BSKP1
SCHEMBL1704262 0.83 KARS1 (0.51) KARS1ACHETBK1SYK
SCHEMBL902812 0.83 KARS1 (0.49) KARS1ACHECKS1BSKP1SKP2
SCHEMBL1704312 0.82 KARS1 (0.48) KARS1ACHETBK1CKS1BSKP1
SCHEMBL1704675 0.82 KARS1 (0.51) KARS1ACHETBK1SYK

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