SCHEMBL901370

SCHEMBL901370

C[C@H]1CN(C(=O)O)CCN1c1cc(-c2cc([N+](=O)[O-])cc(Nc3cnccn3)n2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.45
SYK P43405 5/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL901369 1.00 KARS1 (0.45) KARS1SYKMEN1KMT2A
SCHEMBL901738 0.87 KARS1 (0.58) KARS1SYK
SCHEMBL901840 0.86 KARS1 (0.54) KARS1
SCHEMBL901842 0.86 KARS1 (0.54) KARS1
SCHEMBL1704894 0.78 KARS1 (0.50) KARS1SYK
SCHEMBL901564 0.77 KARS1 (0.42) KARS1KMT2A
SCHEMBL901565 0.77 KARS1 (0.42) KARS1KMT2A
SCHEMBL1705559 0.76 KARS1 (0.51) KARS1SYK
SCHEMBL901813 0.75 ALDH1A1 (0.40) KARS1KMT2A
SCHEMBL901900 0.73 KARS1 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed