SCHEMBL25258943

SCHEMBL25258943

Cc1c[nH]c2ncc(-c3cc4c(c([C@@H]5CCCN5)c3)CCN(CC3CCOCC3)C4)cc12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 14/20 0.42
PIK3CG P48736 4/20 0.39
MAP3K11 Q16584 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL30068859 1.00 MAP3K12 (0.42) MAP3K12PIK3CGMAP3K11PIK3CDPIK3CA
SCHEMBL30068624 0.94 MAP3K12 (0.42) MAP3K12PIK3CGMAP3K11PIK3CDPIK3CA
SCHEMBL25302375 0.94 MAP3K12 (0.42) MAP3K12PIK3CGMAP3K11PIK3CDPIK3CA
SCHEMBL25302377 0.94 MAP3K12 (0.42) MAP3K12PIK3CGMAP3K11PIK3CDPIK3CA
SCHEMBL25845700 0.93 MAP3K12 (0.38) MAP3K12PIK3CGMAP3K11
SCHEMBL25839914 0.89 MAP3K12 (0.44) MAP3K12PIK3CGMAP3K11PIK3CDPIK3CA
SCHEMBL25300804 0.87 PIK3CG (0.42) MAP3K12PIK3CG
SCHEMBL31150882 0.87 PIK3CG (0.42) MAP3K12PIK3CG
SCHEMBL30068532 0.87 PIK3CG (0.42) MAP3K12PIK3CG
SCHEMBL29150712 0.87 PIK3CG (0.42) MAP3K12PIK3CG

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
EP-4303216-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-01-10 EP disclosed
CN-116981661-A Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2023-10-31 CN disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed