SCHEMBL17219902

SCHEMBL17219902

Cc1ncc(C(C)c2c[nH]c(NCCc3ccc(Oc4ccc(C(F)(F)F)c(Cl)c4)cc3)nc2=O)cn1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 3/20 0.34
BRAF P15056 2/20 0.32
RAF1 P04049 1/20 0.32
CYP3A4 P08684 3/20 0.32
HDAC1 Q13547 1/20 0.32
PDE2A O00408 1/20 0.31
CDK8 P49336 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
AURKA O14965 1/20 0.30
NTRK1 P04629 1/20 0.30
KDR P35968 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
SCHEMBL9107436 0.85 PLA2G7 (0.42) PLA2G7BRAFRAF1CYP3A4HDAC1
SCHEMBL9104815 0.79 PLA2G7 (0.49) PLA2G7BRAFRAF1CDK8AURKA
SCHEMBL9101618 0.78 PLA2G7 (0.41) PLA2G7BRAFRAF1CYP3A4
SCHEMBL17219901 0.78 PLA2G7 (0.41) PLA2G7BRAFRAF1CYP3A4HDAC1
SCHEMBL9108042 0.77 PLA2G7 (0.43) PLA2G7BRAFRAF1CYP3A4CDK8
SCHEMBL9103344 0.75 PLA2G7 (0.47) PLA2G7BRAFRAF1CDK8AURKA
SCHEMBL9889713 0.74 LMNA (0.35) PLA2G7CYP3A4CDK8
SCHEMBL9101643 0.73 PLA2G7 (0.48) PLA2G7BRAFRAF1CYP3A4CDK8
SCHEMBL9889702 0.72 PLA2G7 (0.36) PLA2G7CYP3A4
SCHEMBL9106828 0.71 PLA2G7 (0.48) PLA2G7BRAFRAF1CYP3A4CDK8

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
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed