SCHEMBL30869726

SCHEMBL30869726

C[C@@]12COC[C@]1(C)CN(CCCN1c3ccc(-c4ccc5[nH]ncc5c4)cc3Oc3cc(-c4ccc5[nH]ncc5c4)cnc31)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
CHRNA7 P36544 3/20 0.37
KCNH2 Q12809 1/20 0.36
BACE1 P56817 1/20 0.36
ROCK2 O75116 7/20 0.36
ROCK1 Q13464 7/20 0.36
MAP3K11 Q16584 1/20 0.34
TNIK Q9UKE5 1/20 0.34
PRKD2 Q9BZL6 2/20 0.34
MAP4K4 O95819 1/20 0.34
ERBB2 P04626 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1D P48730 1/20 0.34
SLK Q9H2G2 1/20 0.34
GRIA1 P42261 1/20 0.34
PTPN11 Q06124 1/20 0.33
GSK3B P49841 4/20 0.33
CDK5 Q00535 4/20 0.33
DYRK1A Q13627 4/20 0.33
DAPK3 O43293 3/20 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
SCHEMBL30869695 1.00 EGFR (0.38) EGFRCHRNA7KCNH2BACE1ROCK2
SCHEMBL30869772 0.92 EGFR (0.40) EGFRCHRNA7KCNH2BACE1ROCK2
SCHEMBL30869455 0.92 GRIA1 (0.40) EGFRCHRNA7KCNH2BACE1ROCK2
SCHEMBL30869642 0.92 EGFR (0.35) EGFRCHRNA7KCNH2BACE1ROCK2
SCHEMBL30869676 0.90 GRIA1 (0.40) EGFRCHRNA7KCNH2BACE1ROCK2
SCHEMBL30869809 0.89 GRIA1 (0.39) EGFRCHRNA7KCNH2BACE1ROCK2
SCHEMBL30869578 0.87 BACE1 (0.41) EGFRCHRNA7KCNH2BACE1ROCK2
SCHEMBL30869804 0.86 GRIA1 (0.42) EGFRCHRNA7KCNH2BACE1ROCK2
SCHEMBL30869552 0.85 EGFR (0.52) EGFRCHRNA7KCNH2ROCK2ROCK1
SCHEMBL30869508 0.85 GRIA1 (0.42) EGFRCHRNA7KCNH2BACE1ROCK2

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
EP-4583868-A2 DYNAMIN ACTIVATORS Walden Biosciences, Inc. (US) 2025-07-16 EP disclosed
WO-2024054661-A2 DYNAMIN ACTIVATORS WALDEN BIOSCIENCES (US) 2024-03-14 WO disclosed