SCHEMBL901800

SCHEMBL901800

O=C(O)N1CCN(c2cc(-c3cc(NCc4ccc(O)cc4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 16/20 0.78
SYK P43405 1/20 0.37
MGLL Q99685 1/20 0.36
DYRK1A Q13627 1/20 0.35
HRH4 Q9H3N8 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
SCHEMBL901799 0.88 KARS1 (1.00) KARS1
SCHEMBL902211 0.85 KARS1 (0.58) KARS1SYKDYRK1A
SCHEMBL1704693 0.85 KARS1 (0.59) KARS1
SCHEMBL1704272 0.85 KARS1 (0.74) KARS1DYRK1A
SCHEMBL901757 0.84 KARS1 (0.66) KARS1SYKDYRK1A
SCHEMBL902091 0.83 KARS1 (0.58) KARS1SYK
SCHEMBL901988 0.83 KARS1 (0.55) KARS1DYRK1A
SCHEMBL901439 0.83 KARS1 (0.55) KARS1SYKDYRK1A
SCHEMBL901857 0.82 KARS1 (0.57) KARS1DYRK1A
SCHEMBL901752 0.81 KARS1 (0.73) KARS1DYRK1A

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