SCHEMBL30451987

SCHEMBL30451987

COc1cc(Cl)c(B(O)O)cc1-c1ccc2c(N)nnc(C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.36
PLG P00747 2/20 0.36
PLAT P00750 1/20 0.36
DHFR P00374 4/20 0.34
FYN P06241 4/20 0.33
MAP4K4 O95819 1/20 0.33
CHEK2 O96017 1/20 0.32
DYRK1A Q13627 1/20 0.32
GSK3B P49841 1/20 0.32
TGFBR1 P36897 1/20 0.31
ACVR1 Q04771 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
PDE10A Q9Y233 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31

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
SCHEMBL24252368 1.00 PLAU (0.36) PLAUPLGPLATDHFRFYN
SCHEMBL26771149 0.93 PLAU (0.35) PLAUPLGPLATDHFRFYN
SCHEMBL24252646 0.88 DHFR (0.36) PLAUPLGPLATDHFRFYN
SCHEMBL24252645 0.86 FYN (0.34) DHFRFYNMAP4K4CHEK2PDE10A
SCHEMBL30451530 0.86 FYN (0.34) DHFRFYNMAP4K4CHEK2PDE10A
SCHEMBL26771073 0.84 DHFR (0.34) DHFRFYNMAP4K4CHEK2TGFBR1
SCHEMBL24252696 0.84 DHFR (0.34) DHFRFYNMAP4K4CHEK2
SCHEMBL24252695 0.84 SOS1 (0.35) DHFRFYNMAP4K4CHEK2PDE10A
SCHEMBL30453223 0.84 DHFR (0.34) DHFRFYNMAP4K4CHEK2
Formic Acid SCHEMBL25259596 0.84 DHFR (0.33) DHFRFYNMAP4K4CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947903-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-10-27 CN disclosed
CN-116261564-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-06-13 CN disclosed
EP-4185592-A1 INHIBITORS OF COMPLEMENT FACTORS AND USES THEREOF Annexon, Inc. (US) 2023-05-31 EP disclosed