SCHEMBL1704569

SCHEMBL1704569

O=C(O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2cc([N+](=O)[O-])cc(Nc3cc(C(F)(F)F)ccn3)n2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SYK P43405 18/20 0.46
KARS1 Q15046 1/20 0.41
MAP3K12 Q12852 1/20 0.40

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
SCHEMBL1704571 1.00 SYK (0.46) SYKKARS1MAP3K12
SCHEMBL1705079 0.88 SYK (0.41) SYKKARS1MAP3K12
SCHEMBL1704085 0.88 SYK (0.49) SYKKARS1
SCHEMBL901900 0.81 KARS1 (0.53) SYKKARS1
SCHEMBL1704871 0.80 KARS1 (0.44) SYKKARS1
SCHEMBL901867 0.80 KARS1 (0.53) SYKKARS1
SCHEMBL1704543 0.78 SYK (0.49) SYK
SCHEMBL902168 0.78 SYK (0.49) SYK
SCHEMBL12817788 0.77 CCR2 (0.54)
SCHEMBL901796 0.75 KARS1 (0.45) SYKKARS1MAP3K12

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