SCHEMBL30452074

SCHEMBL30452074

Cc1cc(C#N)c(-c2ccc3c(N)nnc(C)c3c2)cc1B(O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.33
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL24252276 1.00 ABL1 (0.33) ABL1PRMT5WDR77CYP11B1CYP11B2
SCHEMBL26771101 0.93 ABL1 (0.32) ABL1PRMT5WDR77
SCHEMBL30451875 0.84 ABL1 (0.33) ABL1PRMT5WDR77ESR1ESR2
SCHEMBL24252366 0.84 ABL1 (0.33) ABL1PRMT5WDR77ESR1ESR2
SCHEMBL24252348 0.82 PGR (0.36) PRMT5WDR77
SCHEMBL26771076 0.81 ABL1 (0.33) ABL1PRMT5WDR77
SCHEMBL24252646 0.80 DHFR (0.36)
SCHEMBL26771301 0.78 PGR (0.34) PRMT5WDR77
Formic Acid SCHEMBL30451260 0.78 XDH (0.33) PRMT5WDR77
Formic Acid SCHEMBL25266826 0.78 XDH (0.33) PRMT5WDR77

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