SCHEMBL30799692

SCHEMBL30799692

Cc1ncc(Br)cc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.38
BACE1 P56817 2/20 0.37
SOS1 Q07889 1/20 0.34
SSTR4 P31391 1/20 0.33
USP30 Q70CQ3 1/20 0.32
LCK P06239 1/20 0.32
PDPK1 O15530 1/20 0.31
SYK P43405 1/20 0.31
HSD17B10 Q99714 2/20 0.30
DGAT1 O75907 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL2066984 0.87 AAK1 (0.37) AAK1BACE1SOS1SSTR4USP30
SCHEMBL21332162 0.84 BACE1 (0.38) AAK1BACE1SOS1SSTR4USP30
SCHEMBL2067004 0.83 AAK1 (0.38) AAK1BACE1SSTR4LCKHSD17B10
SCHEMBL28549753 0.83 BACE1 (0.38) AAK1BACE1SSTR4USP30PDPK1
SCHEMBL26693647 0.82 BACE1 (0.35) AAK1BACE1SOS1SSTR4USP30
SCHEMBL29705323 0.82 BACE1 (0.35) AAK1BACE1SOS1SSTR4USP30
SCHEMBL30581085 0.81 AAK1 (0.35) AAK1BACE1SYK
SCHEMBL30581083 0.81 AAK1 (0.35) AAK1BACE1SYK
SCHEMBL31287082 0.79 MAPT (0.35) AAK1HSD17B10KDM4E
SCHEMBL31287086 0.79 MAPT (0.35) AAK1HSD17B10KDM4E

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