SCHEMBL20138784

SCHEMBL20138784

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.35
POLB P06746 1/20 0.35
HDAC6 Q9UBN7 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
DYRK2 Q92630 3/20 0.33
MET P08581 1/20 0.33
USP30 Q70CQ3 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR119 Q8TDV5 7/20 0.32

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
SCHEMBL20154110 1.00 GBA1 (0.35) GBA1POLBHDAC6HDAC8DYRK2
SCHEMBL30235143 1.00 GBA1 (0.35) GBA1POLBHDAC6HDAC8DYRK2
SCHEMBL20139161 0.88 POLB (0.30) POLBHDAC6HDAC8
SCHEMBL20139182 0.88 POLB (0.30) POLBHDAC6HDAC8
SCHEMBL30234844 0.88 GPR119 (0.41) GBA1POLBUSP30MEN1KMT2A
SCHEMBL20154071 0.88 GPR119 (0.41) GBA1POLBUSP30MEN1KMT2A
SCHEMBL20154258 0.86 POLB (0.33) POLBHDAC6HDAC8DYRK2MET
SCHEMBL20138947 0.86 POLB (0.33) POLBHDAC6HDAC8DYRK2MET
SCHEMBL20138766 0.83 GBA1 (0.38) GBA1POLBHDAC6HDAC8DYRK2
SCHEMBL23369067 0.82 GBA1 (0.47) GBA1POLBMETMEN1KMT2A

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