SCHEMBL30799546

SCHEMBL30799546

Cc1ncc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.36
SSTR4 P31391 1/20 0.35
USP30 Q70CQ3 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
BACE1 P56817 1/20 0.31
PDPK1 O15530 1/20 0.31
SYK P43405 1/20 0.31
F2 P00734 1/20 0.30
LCK P06239 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
SCHEMBL25324214 0.79 ATR (0.37) SOS1USP30PDPK1SYK
SCHEMBL30551503 0.79 ATR (0.37) SOS1USP30PDPK1SYK
SCHEMBL30799692 0.77 AAK1 (0.38) SOS1SSTR4USP30AAK1BACE1
SCHEMBL30799352 0.77 SSTR4 (0.35) SOS1SSTR4USP30
SCHEMBL2610396 0.77 BACE1 (0.35) SOS1SSTR4USP30HDAC1HDAC8
SCHEMBL30397185 0.76 SOS1 (0.37) SOS1SSTR4USP30HDAC1HDAC8
SCHEMBL25262847 0.76 SOS1 (0.37) SOS1SSTR4USP30HDAC1HDAC8
SCHEMBL1180489 0.76 POLB (0.42) SOS1USP30BACE1
SCHEMBL17166912 0.76 SSTR4 (0.36) SOS1SSTR4USP30HDAC1HDAC8
SCHEMBL29935256 0.76 POLB (0.42) SOS1USP30BACE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853730-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed