SCHEMBL28889349

SCHEMBL28889349

CNC(=O)NC(=O)C(c1cc(C(F)(F)F)ccn1)c1cccnc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 12/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRB2 P07550 1/20 0.37
KDR P35968 1/20 0.37
CLK2 P49760 1/20 0.37
IRAK1 P51617 1/20 0.37
NEK4 P51957 1/20 0.37
MAP4K2 Q12851 1/20 0.37
HIPK4 Q8NE63 1/20 0.37
SRPK1 Q96SB4 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
MAP3K20 Q9NYL2 1/20 0.37
STK17A Q9UEE5 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36

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
SCHEMBL28889277 0.90 P2RY1 (0.38) P2RY1ADRB2KDRCLK2IRAK1
SCHEMBL28889382 0.87 ADRB2 (0.39) P2RY1MEN1KMT2AADRB2KDR
SCHEMBL29893632 0.85 ADRB2 (0.37) P2RY1MEN1KMT2AADRB2LMNA
SCHEMBL28889238 0.85 ADRB2 (0.37) P2RY1MEN1KMT2AADRB2LMNA
SCHEMBL28889187 0.83 MEN1 (0.40) MEN1KMT2AADRB2LMNAPOLB
SCHEMBL28889178 0.83 HDAC4 (0.43) P2RY1MEN1KMT2AADRB2LMNA
SCHEMBL28889281 0.83 KMT2A (0.40) P2RY1MEN1KMT2AADRB2LMNA
SCHEMBL28889381 0.83 ADRB2 (0.39) P2RY1ADRB2ALDH1A1L3MBTL1
SCHEMBL28889319 0.82 ADRB2 (0.41) MEN1KMT2AADRB2KDRALDH1A1
SCHEMBL29941697 0.80 MEN1 (0.49) MEN1KMT2AADRB2POLBCYP3A4

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
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