SCHEMBL28889385

SCHEMBL28889385

NC(=O)C(c1cc(C(F)(F)F)ccn1)c1cccc(F)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.40
ADRB2 P07550 1/20 0.39
AURKA O14965 4/20 0.39
KMO O15229 1/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
EPHX1 P07099 2/20 0.37
CNR2 P34972 1/20 0.37
PARP1 P09874 2/20 0.36
SCN9A Q15858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TRPV3 Q8NET8 1/20 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
SCHEMBL28889351 0.82 ADRB2 (0.40) NR3C2ADRB2AURKAKMONOS3
SCHEMBL29941978 0.81 MEN1 (0.40) NR3C2ADRB2AURKAKMOCNR2
SCHEMBL28889170 0.80 HDAC4 (0.43) NR3C2ADRB2AURKANOS3NOS2
SCHEMBL29893770 0.80 HDAC4 (0.43) NR3C2ADRB2AURKANOS3NOS2
SCHEMBL28889273 0.80 ADRB2 (0.40) NR3C2ADRB2AURKAKMONOS3
SCHEMBL24110333 0.79 TACR1 (0.45) ADRB2AURKAKMONOS3NOS2
SCHEMBL28889307 0.79 ADRB2 (0.38) NR3C2ADRB2AURKAKMONOS3
SCHEMBL28959168 0.79 HDAC4 (0.44) NR3C2ADRB2AURKANOS3NOS2
SCHEMBL28889325 0.79 ADRB2 (0.42) NR3C2ADRB2AURKAKMONOS3
SCHEMBL28889298 0.78 ADRB2 (0.39) NR3C2ADRB2AURKANOS3NOS2

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
WO-2022222911-A1 PYRIMIDONE COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-10-27 WO disclosed
CN-115215862-A Pyrimidone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-21 CN disclosed