SCHEMBL29951522

SCHEMBL29951522

Nc1ncc(C=O)cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 6/20 0.51
USP7 Q93009 3/20 0.51
CHEK2 O96017 4/20 0.50
MKNK1 Q9BUB5 1/20 0.50
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
FYN P06241 2/20 0.42
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
AXL P30530 1/20 0.39

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
SCHEMBL29951774 0.85 CHEK2 (0.51) MAP4K4USP7CHEK2MKNK1FYN
SCHEMBL29952012 0.84 CHEK2 (0.54) MAP4K4CHEK2MKNK1FYNAXL
SCHEMBL2561948 0.83 MAP4K4 (0.54) MAP4K4USP7CHEK2MKNK1FYN
SCHEMBL2558901 0.83 CHEK2 (0.53) MAP4K4USP7CHEK2MKNK1FYN
SCHEMBL2557950 0.80 MAP4K4 (0.56) MAP4K4USP7CHEK2PDGFRBKDR
SCHEMBL2559978 0.79 ADORA2A (0.49) MAP4K4PDGFRBKDR
SCHEMBL8550043 0.79 ALDH1A1 (0.39) MAP4K4AXL
SCHEMBL2554196 0.79 USP7 (0.41) MAP4K4USP7
SCHEMBL2554637 0.76 ADORA1 (0.46) MAP4K4CHEK2FYN
SCHEMBL2554311 0.76 MAP4K4 (0.43) MAP4K4CHEK2FYN

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed