SCHEMBL30799358

SCHEMBL30799358

COc1c(Br)cnc(C)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
USP30 Q70CQ3 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
SCHEMBL30799352 0.85 SSTR4 (0.35) SSTR4USP30
SCHEMBL30799482 0.75 SSTR4 (0.32) SSTR4MTNR1AMTNR1B
SCHEMBL30799546 0.73 SOS1 (0.36) SSTR4USP30
SCHEMBL1181827 0.71 SSTR4 (0.36) SSTR4USP30MTNR1AMTNR1B
SCHEMBL25345974 0.71 MTNR1A (0.39) SSTR4USP30MTNR1AMTNR1B
SCHEMBL30204974 0.71 SSTR4 (0.44) SSTR4MKNK2MTNR1AMTNR1B
SCHEMBL26980538 0.71 GAA (0.38) SSTR4USP30MTNR1AMTNR1B
SCHEMBL29513867 0.71 MTNR1A (0.39) SSTR4USP30MTNR1AMTNR1B
SCHEMBL30799310 0.70 SSTR4 (0.33) SSTR4USP30
SCHEMBL1180650 0.70 SYK (0.36) SSTR4USP30

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