SCHEMBL2226697

SCHEMBL2226697

CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc[c]nc3)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 0.70
KCNH2 Q12809 5/20 0.70
MINK1 Q8N4C8 3/20 0.70
PIK3CA P42336 1/20 0.70
PI4KB Q9UBF8 1/20 0.70
FYN P06241 3/20 0.69
TNIK Q9UKE5 2/20 0.69
RIPK2 O43353 1/20 0.49
VRK2 Q86Y07 1/20 0.49
USP7 Q93009 2/20 0.47
PTGS2 P35354 1/20 0.45

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
SCHEMBL2227291 0.85 MAP4K4 (0.86) MAP4K4KCNH2MINK1PIK3CAPI4KB
SCHEMBL2223417 0.84 MAP4K4 (0.76) MAP4K4KCNH2MINK1PIK3CAPI4KB
SCHEMBL2226484 0.83 MAP4K4 (0.78) MAP4K4KCNH2MINK1PIK3CAPI4KB
Mmv-048 SCHEMBL29413286 0.82 KCNH2 (1.00) MAP4K4KCNH2MINK1PIK3CAPI4KB
Mmv-048 SCHEMBL2225969 0.82 KCNH2 (1.00) MAP4K4KCNH2MINK1PIK3CAPI4KB
Mmv-048 SCHEMBL29575216 0.82 KCNH2 (1.00) MAP4K4KCNH2MINK1PIK3CAPI4KB
SCHEMBL2225202 0.82 FYN (1.00) MAP4K4KCNH2MINK1PIK3CAPI4KB
SCHEMBL30521788 0.82 FYN (1.00) MAP4K4KCNH2MINK1PIK3CAPI4KB
SCHEMBL2227734 0.81 MAP4K4 (0.75) MAP4K4KCNH2MINK1PIK3CAPI4KB
SCHEMBL744659 0.81 PTGS2 (0.42) MAP4K4KCNH2MINK1PIK3CAPI4KB

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-2011086531-A2 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2011-07-21 WO disclosed