SCHEMBL30599708

SCHEMBL30599708

CC(C)(C)OC(=O)N1CCN(c2cncc(C#N)c2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.53
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
RET P07949 4/20 0.44
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42

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
SCHEMBL25249403 1.00 GPR119 (0.53) GPR119NR1H2NR1H3RETPOLB
SCHEMBL25003057 0.82 NR1H2 (0.47) GPR119NR1H2NR1H3RETPOLB
SCHEMBL25216918 0.81 GPR119 (0.57) GPR119POLBMEN1KMT2ACKS1B
SCHEMBL30599707 0.81 GPR119 (0.57) GPR119POLBMEN1KMT2ACKS1B
SCHEMBL652725 0.78 MEN1 (0.52) GPR119NR1H2NR1H3RETPOLB
SCHEMBL652792 0.77 GRM5 (0.53) GPR119CKS1BSKP1SKP2
SCHEMBL5128070 0.77 GPR119 (0.49) GPR119NR1H2NR1H3CKS1BSKP1
SCHEMBL24120242 0.77 GPR119 (0.56) GPR119NR1H2NR1H3RETPOLB
SCHEMBL21815329 0.77 NR1H2 (0.54) GPR119NR1H2NR1H3RETPOLB
SCHEMBL38665884 0.77 GPR119 (0.56) GPR119NR1H2NR1H3RETPOLB

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-116917279-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-10-20 CN disclosed