SCHEMBL1704516

SCHEMBL1704516

CC(C)(C)N(CCc1cccc(-c2cc3ccccc3c(Nc3cnccn3)n2)c1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.36
ADORA3 P0DMS8 4/20 0.36
GBA1 P04062 2/20 0.36
SYK P43405 1/20 0.36
BRAF P15056 3/20 0.34
LYN P07948 1/20 0.34
SRC P12931 1/20 0.34
BTK Q06187 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCD Q05655 1/20 0.34
PRKD1 Q15139 1/20 0.34
TP53 P04637 1/20 0.33
KDR P35968 1/20 0.33
HPGDS O60760 1/20 0.33
ACP1 P24666 1/20 0.33
PRKCH P24723 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1704715 0.86 IDH2 (0.40) SYK
SCHEMBL1705304 0.84 KARS1 (0.47) SIRT2SYKBRAFLYNSRC
SCHEMBL902093 0.83 TP53 (0.41) SIRT2ADORA3GBA1BRAFTP53
SCHEMBL1704403 0.80 KARS1 (0.47) SIRT2GBA1SYKPRKCAPRKCD
SCHEMBL902758 0.72 KARS1 (0.64) SYKKDRMEN1KMT2A
SCHEMBL901924 0.72 IDH2 (0.48) SYK
SCHEMBL1704492 0.71 KARS1 (0.51) SYK
SCHEMBL1704681 0.70 KARS1 (0.52) KDR
SCHEMBL901864 0.70 KARS1 (0.49) SYK
SCHEMBL902028 0.69 CA12 (0.45) SYKTP53

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