SCHEMBL901900

SCHEMBL901900

O=C(O)N1CCN(c2cc(-c3cc([N+](=O)[O-])cc(Nc4cc(C(F)(F)F)ccn4)n3)ccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 1/20 0.53
SYK P43405 18/20 0.49

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
SCHEMBL1705146 0.89 SYK (0.57) KARS1SYK
SCHEMBL1705559 0.87 KARS1 (0.51) KARS1SYK
SCHEMBL901783 0.86 KARS1 (0.56) KARS1SYK
SCHEMBL901842 0.85 KARS1 (0.54) KARS1
SCHEMBL901840 0.85 KARS1 (0.54) KARS1
SCHEMBL1704409 0.84 KARS1 (0.73) KARS1SYK
SCHEMBL1704571 0.81 SYK (0.46) KARS1SYK
SCHEMBL1704569 0.81 SYK (0.46) KARS1SYK
SCHEMBL901758 0.80 KARS1 (0.49) KARS1SYK
SCHEMBL901977 0.78 KARS1 (0.65) 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