SCHEMBL20154258

SCHEMBL20154258

CC(C)(C)OC(=O)N1CCN(c2nc(-c3scnc3Cl)[nH]c(=O)c2Cl)[C@H](C(F)F)C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
USP30 Q70CQ3 1/20 0.33
CNR1 P21554 2/20 0.33
PRKCQ Q04759 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
HPGDS O60760 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
GPR119 Q8TDV5 5/20 0.31
DYRK2 Q92630 1/20 0.30
MET P08581 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
SCHEMBL20138947 1.00 POLB (0.33) POLBUSP30CNR1PRKCQPARP1
SCHEMBL20154097 0.89 GPR119 (0.39) POLBUSP30GPR119
SCHEMBL20138763 0.87
SCHEMBL20154091 0.87 POLB (0.33) POLBUSP30CNR1PRKCQPARP1
SCHEMBL30235143 0.86 GBA1 (0.35) POLBUSP30HDAC8HDAC6GPR119
SCHEMBL20154110 0.86 GBA1 (0.35) POLBUSP30HDAC8HDAC6GPR119
SCHEMBL20138784 0.86 GBA1 (0.35) POLBUSP30HDAC8HDAC6GPR119
SCHEMBL20154098 0.83 KIT (0.40) POLBCNR1GPR119MET
SCHEMBL20143003 0.83 POLB (0.34) POLBCNR1PARP1PARP2HPGDS
SCHEMBL20139161 0.79 POLB (0.30) POLBHDAC8HDAC6

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-3538523-A1 PYRIMIDINONE DERIVATIVES AS CDC7 INHIBITORS Cancer Research Technology Limited (GB) 2019-09-18 EP disclosed
WO-2018087527-A1 PYRIMIDINONE DERIVATIVES AS CDC7 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-05-17 WO disclosed