SCHEMBL1704871

SCHEMBL1704871

COC(=O)c1ccc(C(=O)Nc2cc(Nc3cc(C(F)(F)F)ccn3)nc(-c3ccnc(N4C[C@@H]5C[C@H]4CN5C(=O)O)c3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 4/20 0.44
SYK P43405 15/20 0.43
IDH2 P48735 1/20 0.42

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
SCHEMBL902062 0.88 KARS1 (0.57) KARS1
SCHEMBL901867 0.88 KARS1 (0.53) KARS1SYKIDH2
SCHEMBL1705099 0.87 KARS1 (0.47) KARS1SYKIDH2
SCHEMBL1704085 0.83 SYK (0.49) KARS1SYK
SCHEMBL1705351 0.81 KARS1 (0.52) KARS1
SCHEMBL902768 0.81 KARS1 (0.52) KARS1SYKIDH2
SCHEMBL1704236 0.81 KARS1 (0.52) KARS1SYKIDH2
SCHEMBL1704571 0.80 SYK (0.46) KARS1SYK
SCHEMBL1704569 0.80 SYK (0.46) KARS1SYK
SCHEMBL901253 0.78 KARS1 (0.65) KARS1

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