SCHEMBL1704255

SCHEMBL1704255

CC(C)(C)N(CCNc1cc(-c2cccc(Nc3cc(C(F)(F)F)ccn3)n2)ccn1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 6/20 0.52
SYK P43405 11/20 0.44
BRAF P15056 1/20 0.42
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
SCHEMBL1704727 0.93 KARS1 (0.54) KARS1SYK
SCHEMBL901864 0.87 KARS1 (0.49) KARS1SYKIDH2
SCHEMBL1704681 0.85 KARS1 (0.52) KARS1
SCHEMBL901724 0.84 KARS1 (0.57) KARS1SYKIDH2
SCHEMBL902886 0.81 KARS1 (0.44) KARS1BRAF
SCHEMBL10268803 0.81 KARS1 (0.71) KARS1SYKIDH2
SCHEMBL901924 0.79 IDH2 (0.48) SYKIDH2
SCHEMBL1704492 0.79 KARS1 (0.51) KARS1SYKIDH2
SCHEMBL1704345 0.79 KARS1 (0.59) KARS1SYK
SCHEMBL1755661 0.75 KARS1 (0.74) 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 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