SCHEMBL29941978

SCHEMBL29941978

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRB2 P07550 1/20 0.39
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
KDR P35968 4/20 0.35
MAP4K4 O95819 2/20 0.35
TAOK1 Q7L7X3 2/20 0.35
HIPK4 Q8NE63 2/20 0.35
AURKB Q96GD4 2/20 0.35
SRPK1 Q96SB4 2/20 0.35
MAP3K20 Q9NYL2 2/20 0.35
CNR2 P34972 2/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
CNR1 P21554 1/20 0.35
CHIT1 Q13231 1/20 0.35
PRKD3 O94806 1/20 0.35
MARK3 P27448 1/20 0.35
MAPKAPK2 P49137 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
SCHEMBL28889335 0.90 ADRB2 (0.38) ADRB2LMNAPOLBKDRCNR2
SCHEMBL28959166 0.85 MEN1 (0.41) MEN1KMT2AADRB2LMNAPOLB
SCHEMBL29893755 0.83 MEN1 (0.44) MEN1KMT2AADRB2LMNAPOLB
SCHEMBL28889250 0.83 MEN1 (0.44) MEN1KMT2AADRB2LMNAPOLB
SCHEMBL28889179 0.83 KMT2A (0.41) MEN1KMT2AADRB2LMNAPOLB
SCHEMBL29941697 0.82 MEN1 (0.49) MEN1KMT2AADRB2POLBCHIT1
SCHEMBL28889178 0.82 HDAC4 (0.43) MEN1KMT2AADRB2LMNARIPK2
SCHEMBL28889186 0.81 MEN1 (0.44) MEN1KMT2AADRB2LMNAPOLB
SCHEMBL28889385 0.81 NR3C2 (0.40) ADRB2CNR2AURKAKMONR3C2
SCHEMBL28889187 0.80 MEN1 (0.40) MEN1KMT2AADRB2LMNAPOLB

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-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