SCHEMBL20180512

SCHEMBL20180512

C[C@@H]1CN(c2ccc(N)c(C(F)(F)F)c2)C[C@H](C)N1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 7/20 0.38
SIRT6 Q8N6T7 1/20 0.37
NOTUM Q6P988 6/20 0.36
DPP4 P27487 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
PTK2B Q14289 1/20 0.36
HSD11B1 P28845 1/20 0.35
AR P10275 2/20 0.35

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
SCHEMBL20180730 0.84 ALKBH5 (0.39) WDR5SIRT6NOTUMDPP4HSD11B1
SCHEMBL23072821 0.81 MAPT (0.41) SIRT6KDM4EGAAMAPTMAPK1
SCHEMBL30565932 0.81 MAPT (0.41) SIRT6KDM4EGAAMAPTMAPK1
SCHEMBL20292786 0.81 MAPT (0.41) SIRT6KDM4EGAAMAPTMAPK1
SCHEMBL20180751 0.80 GAA (0.38) WDR5KDM4EGAAMAPTMAPK1
SCHEMBL15547228 0.79 WDR5 (0.44) WDR5NOTUM
SCHEMBL20180514 0.78 GAA (0.50) KDM4EGAAMAPTMAPK1HTT
SCHEMBL2832369 0.78 PDK2 (0.48) NOTUMDPP4KDM4EHTT
SCHEMBL2832366 0.78 PDK2 (0.48) NOTUMDPP4KDM4EHTT
SCHEMBL2965028 0.78 PDK2 (0.48) NOTUMDPP4KDM4EHTT

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-2018090939-A1 8,9-DIHYDROIMIDAZOLE[1,2-A]PYRIMIDO[5,4-E]PYRIMIDINE-5(6H)-KETONE COMPOUND 上海瑛派药业有限公司 2018-05-24 WO disclosed