SCHEMBL30869727

SCHEMBL30869727

c1cc2c(cc1-c1cncc3[nH]ncc13)Sc1cc(-c3cncc4[nH]ncc34)ccc1N2CCN1C[C@H]2C[C@@H]1CN2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.39
ABL1 P00519 1/20 0.34
LTA4H P09960 1/20 0.31
CHRNB2 P17787 3/20 0.31
CHRNA4 P43681 3/20 0.31
ROCK2 O75116 2/20 0.30
ROCK1 Q13464 2/20 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
SCHEMBL30869706 0.86 CHRNA7 (0.38) BRAFABL1
SCHEMBL30869495 0.83 NUDT1 (0.39) BRAFROCK2ROCK1
SCHEMBL30869815 0.79 BRAF (0.45) BRAFABL1
SCHEMBL30869697 0.77 BRAF (0.42) BRAFABL1
SCHEMBL30869510 0.73 BRAF (0.41) BRAFABL1
SCHEMBL30869427 0.71 CHRNA7 (0.43) BRAFROCK2ROCK1
SCHEMBL30869669 0.69 ABL1 (0.36) BRAFABL1ROCK2ROCK1
SCHEMBL30869668 0.69 NUDT1 (0.39) ROCK2ROCK1
SCHEMBL30869756 0.67 PIK3CG (0.49)
SCHEMBL30869436 0.66 TNIK (0.36) BRAFABL1LTA4HROCK2ROCK1

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