SCHEMBL1705079

SCHEMBL1705079

Cc1ccnc(Nc2cc([N+](=O)[O-])cc(-c3ccnc(N4C[C@@H]5C[C@H]4CN5C(=O)O)c3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.41
KARS1 Q15046 4/20 0.41
MAP3K12 Q12852 2/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 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
SCHEMBL1704569 0.88 SYK (0.46) SYKKARS1MAP3K12
SCHEMBL1704571 0.88 SYK (0.46) SYKKARS1MAP3K12
SCHEMBL901796 0.87 KARS1 (0.45) SYKKARS1MAP3K12
SCHEMBL1705559 0.80 KARS1 (0.51) SYKKARS1MAP3K12
SCHEMBL12469310 0.76 KARS1 (0.56) SYKKARS1MAP3K12
SCHEMBL1704085 0.75 SYK (0.49) SYKKARS1
SCHEMBL902920 0.73 SYK (0.50) SYKKARS1MAPT
SCHEMBL901369 0.72 KARS1 (0.45) SYKKARS1MEN1KMT2A
SCHEMBL901370 0.72 KARS1 (0.45) SYKKARS1MEN1KMT2A
SCHEMBL1704871 0.70 KARS1 (0.44) SYKKARS1

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
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed