SCHEMBL30176849

SCHEMBL30176849

C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(N)nc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.54
SMARCA4 P51532 1/20 0.54
PBRM1 Q86U86 1/20 0.54
GPR119 Q8TDV5 13/20 0.52
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
MET P08581 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
ABCB1 P08183 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL14912289 1.00 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1GPR119LMNA
SCHEMBL30512308 1.00 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1GPR119LMNA
SCHEMBL14924376 1.00 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1GPR119LMNA
SCHEMBL14912467 1.00 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1GPR119LMNA
SCHEMBL14927204 0.87 GPR119 (0.54) SMARCA2SMARCA4PBRM1GPR119LMNA
SCHEMBL25707196 0.87 GPR119 (0.54) SMARCA2SMARCA4PBRM1GPR119LMNA
SCHEMBL24375328 0.87 GPR119 (0.53) SMARCA2SMARCA4PBRM1GPR119LMNA
SCHEMBL28855340 0.87 GPR119 (0.53) SMARCA2SMARCA4PBRM1GPR119LMNA
SCHEMBL31247616 0.86 GPR119 (0.52) SMARCA2SMARCA4PBRM1GPR119LMNA
SCHEMBL30578907 0.86 SMARCA2 (0.43) SMARCA2SMARCA4PBRM1GPR119ALOX5AP

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-115785097-A BTK inhibitor and application thereof 乳源东阳光药业有限公司 2023-03-14 CN disclosed