SCHEMBL25843804

SCHEMBL25843804

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 5/20 0.41
PIK3CG P48736 13/20 0.38
PAK1 Q13153 1/20 0.36
ABL1 P00519 1/20 0.35

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
SCHEMBL30068576 1.00 MAP3K12 (0.41) MAP3K12PIK3CGPAK1ABL1
SCHEMBL27128347 1.00 MAP3K12 (0.41) MAP3K12PIK3CGPAK1ABL1
SCHEMBL25306185 0.94 MAP3K12 (0.39) MAP3K12PIK3CGPAK1ABL1
SCHEMBL30068719 0.94 MAP3K12 (0.39) MAP3K12PIK3CGPAK1ABL1
SCHEMBL25260858 0.94 MAP3K12 (0.39) MAP3K12PIK3CGPAK1ABL1
SCHEMBL25303363 0.94 MAP3K12 (0.39) MAP3K12PIK3CGPAK1ABL1
SCHEMBL30068777 0.94 MAP3K12 (0.39) MAP3K12PIK3CGPAK1ABL1
SCHEMBL25303364 0.94 MAP3K12 (0.39) MAP3K12PIK3CGPAK1ABL1
SCHEMBL30068604 0.93 MAP3K12 (0.37) MAP3K12PIK3CGPAK1ABL1
SCHEMBL25296268 0.93 MAP3K12 (0.37) MAP3K12PIK3CGPAK1ABL1

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-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
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