SCHEMBL20154091

SCHEMBL20154091

C#C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc(-c2scnc2Cl)[nH]c(=O)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
USP30 Q70CQ3 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
GPR119 Q8TDV5 6/20 0.32
PRKCQ Q04759 1/20 0.32
CNR1 P21554 2/20 0.32
HPGDS O60760 2/20 0.31
PBK Q96KB5 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
P2RX7 Q99572 1/20 0.31
GBA1 P04062 1/20 0.31
DYRK2 Q92630 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
SCHEMBL20154097 0.89 GPR119 (0.39) POLBUSP30GPR119
SCHEMBL20138947 0.87 POLB (0.33) POLBUSP30PARP1PARP2GPR119
SCHEMBL20154258 0.87 POLB (0.33) POLBUSP30PARP1PARP2GPR119
SCHEMBL20154098 0.83 KIT (0.40) POLBGPR119CNR1GBA1
SCHEMBL20143003 0.83 POLB (0.34) POLBPARP1PARP2GPR119CNR1
SCHEMBL20154093 0.78 POLB (0.34) POLBGPR119CNR1GBA1
SCHEMBL21531638 0.76 PI4KB (0.34) PARP1
SCHEMBL20138763 0.73
SCHEMBL20154071 0.73 GPR119 (0.41) POLBUSP30GPR119GBA1
SCHEMBL30234844 0.73 GPR119 (0.41) POLBUSP30GPR119GBA1

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
WO-2018087527-A1 PYRIMIDINONE DERIVATIVES AS CDC7 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-05-17 WO disclosed