SCHEMBL901836

SCHEMBL901836

CCOC(=O)CCc1ccc(OCc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCN(C(=O)O)CC4)c3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.48
SYK P43405 5/20 0.39
ME2 P23368 1/20 0.36
ME1 P48163 1/20 0.36
ME3 Q16798 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL1705028 0.91 KARS1 (0.45) KARS1SYK
SCHEMBL1704925 0.84 KARS1 (0.47) KARS1SYK
SCHEMBL1704465 0.83 KARS1 (0.63) KARS1
SCHEMBL901988 0.81 KARS1 (0.55) KARS1
SCHEMBL901857 0.80 KARS1 (0.57) KARS1
SCHEMBL901935 0.78 KARS1 (0.65) KARS1
SCHEMBL902224 0.78 KARS1 (0.55) KARS1
SCHEMBL1704272 0.77 KARS1 (0.74) KARS1
SCHEMBL901439 0.77 KARS1 (0.55) KARS1SYK
SCHEMBL901800 0.77 KARS1 (0.78) KARS1SYK

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