SCHEMBL6203392

SCHEMBL6203392

C[C@@H](C[CH]C(=O)N[C@H]1CC[C@@H]2CCC(=O)N2C[C@@H]1O)C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.32
KMT2A Q03164 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
SCHEMBL6204673 0.80 BTK (0.30) BTK
SCHEMBL6204157 0.80 BTK (0.30) BTK
SCHEMBL6391548 0.78 KMT2A (0.38) KMT2A
SCHEMBL6203394 0.76 KMT2A (0.31) KMT2A
SCHEMBL4317287 0.75
SCHEMBL4318920 0.75
SCHEMBL6389427 0.74 NPC1 (0.31) KMT2A
SCHEMBL6466403 0.72 SHMT2 (0.33) KMT2A
SCHEMBL5948841 0.71 PKM (0.30)
SCHEMBL6273909 0.71 TAS1R3 (0.32)

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-1511492-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-09 EP disclosed
WO-2003103574-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-18 WO disclosed