SCHEMBL29330501

SCHEMBL29330501

CC(C)C(=O)/C(Cl)=C(\C=N)N1CCc2c(ncnc2Sc2ccc(F)cc2F)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.36
P2RX7 Q99572 3/20 0.36
MAPK14 Q16539 2/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
GPR6 P46095 3/20 0.31
AXL P30530 1/20 0.31
P2RX3 P56373 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
SCHEMBL29328686 0.91 P2RX7 (0.36) MKNK1P2RX7DPP4DPP8DPP7
SCHEMBL29330913 0.80 P2RX7 (0.36) P2RX7
SCHEMBL29328354 0.78 ATG7 (0.32) P2RX7
SCHEMBL29328670 0.77 TRPC5 (0.34) P2RX7DPP4DPP8DPP7
SCHEMBL29329348 0.77 MKNK1 (0.34) MKNK1P2RX7MAPK14KDM4EMEN1
SCHEMBL29328871 0.70 GRM2 (0.32) MAPK14DPP4DPP8DPP7GPR6
SCHEMBL29329527 0.70 P2RX7 (0.33) MKNK1P2RX7
SCHEMBL29330204 0.70 P2RX7 (0.39) MKNK1P2RX7MAPK14
SCHEMBL29328518 0.70 P2RX7 (0.34) P2RX7
SCHEMBL29330275 0.70 MKNK1 (0.48) MKNK1P2RX7P2RX3

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-4400500-A1 HALOGEN-SUBSTITUTED PYRIDAZINONE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2024-07-17 EP disclosed