SCHEMBL28051402

SCHEMBL28051402

NC(=O)c1ccc(-c2cc(-c3ccc(C[SH](=O)=O)cc3)cnc2N)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 14/20 0.68
FYN P06241 3/20 0.68
MKNK1 Q9BUB5 1/20 0.68
MAP4K4 O95819 3/20 0.67
CHEK1 O14757 4/20 0.59

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
SCHEMBL28051403 0.89 USP7 (0.57) CHEK2FYNMKNK1MAP4K4
SCHEMBL28051457 0.88 FYN (0.59) CHEK2FYNMKNK1MAP4K4CHEK1
SCHEMBL12516852 0.87 CHEK2 (0.88) CHEK2FYNMKNK1MAP4K4CHEK1
SCHEMBL27902096 0.86 CHEK2 (0.62) CHEK2FYNMKNK1MAP4K4
SCHEMBL27885119 0.86 USP7 (0.70) CHEK2FYNMKNK1MAP4K4
SCHEMBL27902097 0.84 FYN (0.53) CHEK2FYNMKNK1MAP4K4
SCHEMBL17011909 0.83 CHEK2 (0.73) CHEK2FYNMKNK1MAP4K4CHEK1
SCHEMBL27885062 0.83 USP7 (0.50) CHEK2FYNMKNK1MAP4K4
SCHEMBL27885050 0.83 MAP4K4 (0.60) CHEK2FYNMKNK1MAP4K4
SCHEMBL27885129 0.83 MAP4K4 (0.52) CHEK2FYNMKNK1MAP4K4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102812006-B Novel antimalaria reagent MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-01-20 CN claimed
CN-102812006-B Novel antimalaria reagent MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-01-20 CN disclosed