SCHEMBL3344573

SCHEMBL3344573

CS(=O)(=O)c1cccc(Nc2ncc(-c3cncc(C(=O)O)c3)c(S(C)(=O)=O)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 9/20 0.47
ACVR1 Q04771 4/20 0.47
ABL1 P00519 2/20 0.44
JAK3 P52333 2/20 0.44
JAK1 P23458 2/20 0.44
BCR P11274 1/20 0.44
PRKCA P17252 1/20 0.44
NOD2 Q9HC29 5/20 0.43
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
CDK9 P50750 2/20 0.43
CCNT1 O60563 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
AURKA O14965 1/20 0.43
MAP4K4 O95819 1/20 0.43
LCK P06239 1/20 0.43
MET P08581 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43

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
SCHEMBL3449014 0.87 SYK (0.47) RIPK2ACVR1ABL1JAK3JAK1
SCHEMBL13348282 0.83 CSNK2A1 (0.49) ABL1BCRAURKAAURKBJAK2
SCHEMBL3448524 0.81 SYK (0.45) RIPK2ACVR1JAK3SYKJAK2
SCHEMBL3448872 0.80 SYK (0.44) RIPK2ACVR1JAK3JAK1SYK
SCHEMBL3451567 0.79 EGFR (0.44) RIPK2ACVR1ABL1JAK3JAK1
SCHEMBL3449534 0.78 RIPK2 (0.45) RIPK2ACVR1ABL1JAK3JAK1
SCHEMBL3449538 0.78 RIPK2 (0.45) RIPK2ACVR1ABL1JAK3JAK1
SCHEMBL13421189 0.78 RIPK2 (0.39) RIPK2ACVR1JAK3JAK1NOD2
SCHEMBL13421190 0.78 RIPK2 (0.39) RIPK2ACVR1JAK3JAK1NOD2
SCHEMBL3451569 0.76 RIPK2 (0.43) RIPK2ACVR1ABL1JAK3JAK1

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
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed