SCHEMBL29328670

SCHEMBL29328670

CC(C)C(=O)/C(Cl)=C(\C=N)N1CCc2c(nc(CO)nc2Sc2ccc(F)cc2C(F)(F)F)C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 2/20 0.34
PTPN11 Q06124 1/20 0.33
RBP4 P02753 4/20 0.33
DPP4 P27487 10/20 0.33
DPP8 Q6V1X1 9/20 0.33
DPP7 Q9UHL4 7/20 0.33
DPP9 Q86TI2 3/20 0.32
MAPK1 P28482 2/20 0.31
CDK2 P24941 1/20 0.31
P2RX7 Q99572 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 0.82 P2RX7 (0.36) TRPC5DPP4DPP8DPP7P2RX7
SCHEMBL29330071 0.82 PTPN11 (0.34) TRPC5PTPN11RBP4DPP4DPP8
SCHEMBL29330133 0.81 PTPN11 (0.35) TRPC5PTPN11RBP4DPP4DPP8
SCHEMBL29329900 0.80 P2RX7 (0.37) TRPC5PTPN11RBP4DPP4DPP8
SCHEMBL29329821 0.80 TRPC5 (0.35) TRPC5PTPN11RBP4
SCHEMBL29330501 0.77 MKNK1 (0.36) DPP4DPP8DPP7P2RX7
SCHEMBL29330913 0.72 P2RX7 (0.36) TRPC5RBP4P2RX7
SCHEMBL29329825 0.70 TRPC5 (0.56) TRPC5PTPN11
SCHEMBL29329976 0.70 PARP1 (0.42) TRPC5PTPN11P2RX7
SCHEMBL29330191 0.69 MKNK1 (0.43) PTPN11RBP4

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