SCHEMBL26654068

SCHEMBL26654068

COc1ncc(-c2cn([C@H](C(=O)O)C(C)C)nn2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.39
CA9 Q16790 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA13 Q8N1Q1 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
EGLN1 Q9GZT9 3/20 0.36
LGALS3 P17931 1/20 0.36
LRRK2 Q5S007 2/20 0.36
CTSC P53634 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
MAP4K4 O95819 1/20 0.33
RET P07949 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL26654074 1.00 CA2 (0.39) CA2CA9CA12CA1CA3
SCHEMBL30658029 0.88 CA2 (0.39) CA2CA9CA12CA1CA3
SCHEMBL26653977 0.84 CA2 (0.40) CA2CA9CA12CA1CA3
SCHEMBL26653979 0.84 CA2 (0.40) CA2CA9CA12CA1CA3
SCHEMBL13062397 0.76 CA2 (0.47) CA2CA9CA12CA1CA3
SCHEMBL30657998 0.75 CA2 (0.39) CA2CA9CA12CA1CA3
SCHEMBL3727950 0.72 CA2 (0.69) CA2CA9CA12CA1CA3
SCHEMBL26683331 0.71 CA12 (0.40) CA2CA9CA12CA1CA3
SCHEMBL26684381 0.71 CA12 (0.40) CA2CA9CA12CA1CA3
SCHEMBL31605659 0.70 LGALS3 (0.35) CA2CA9CA12CA1CA3

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-2023220134-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 WO disclosed