SCHEMBL901995

SCHEMBL901995

O=C(O)N1CCN(c2cc(-c3cc(NS(=O)(=O)c4ccccc4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.60
BRAF P15056 1/20 0.42
EIF2AK3 Q9NZJ5 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MTOR P42345 2/20 0.40
SMG1 Q96Q15 2/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
PKM P14618 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
AURKA O14965 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL1704534 0.90 KARS1 (0.52) KARS1LMNAMTORSMG1THRB
SCHEMBL1704302 0.90 KARS1 (0.55) KARS1
SCHEMBL902811 0.89 KARS1 (0.51) KARS1
SCHEMBL1704342 0.89 KARS1 (0.71) KARS1
SCHEMBL1704272 0.86 KARS1 (0.74) KARS1BRAF
SCHEMBL902003 0.85 KARS1 (0.61) KARS1LMNASMG1
SCHEMBL901421 0.85 KARS1 (0.82) KARS1
SCHEMBL901757 0.85 KARS1 (0.66) KARS1BRAF
SCHEMBL1704693 0.83 KARS1 (0.59) KARS1BRAFSMG1
SCHEMBL902036 0.82 KARS1 (0.81) KARS1LMNAHTT

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