SCHEMBL20139182

SCHEMBL20139182

C=CCOc1nc(-c2scnc2Cl)nc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(F)F)c1Cl

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL20139161 1.00 POLB (0.30) POLBHDAC8HDAC6
SCHEMBL29470074 0.89 GPR119 (0.38) POLB
SCHEMBL20154070 0.89 GPR119 (0.38) POLB
SCHEMBL20154110 0.88 GBA1 (0.35) POLBHDAC8HDAC6
SCHEMBL30235143 0.88 GBA1 (0.35) POLBHDAC8HDAC6
SCHEMBL20138784 0.88 GBA1 (0.35) POLBHDAC8HDAC6
SCHEMBL30234855 0.85 GBA1 (0.33) POLB
SCHEMBL20154099 0.85 GBA1 (0.33) POLB
SCHEMBL23369065 0.84 GBA1 (0.40) POLB
SCHEMBL23369069 0.83

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