SCHEMBL29330071

SCHEMBL29330071

C[C@H](O)c1nc2c(c(Sc3ccc(F)cc3C(F)(F)F)n1)CCN(/C(C=N)=C(\Cl)C(N)=O)C2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.34
RBP4 P02753 2/20 0.32
DPP4 P27487 4/20 0.32
DPP8 Q6V1X1 4/20 0.32
DPP7 Q9UHL4 3/20 0.32
P2RX7 Q99572 2/20 0.31
TRPC5 Q9UL62 2/20 0.31
DPP9 Q86TI2 1/20 0.30
GRM2 Q14416 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
SCHEMBL29330133 0.89 PTPN11 (0.35) PTPN11RBP4DPP4DPP8DPP7
SCHEMBL29329900 0.89 P2RX7 (0.37) PTPN11RBP4DPP4DPP8DPP7
SCHEMBL29328670 0.82 TRPC5 (0.34) PTPN11RBP4DPP4DPP8DPP7
SCHEMBL29328686 0.75 P2RX7 (0.36) DPP4DPP8DPP7P2RX7TRPC5
SCHEMBL29330066 0.74 PARP1 (0.39) PTPN11RBP4
SCHEMBL29330913 0.73 P2RX7 (0.36) RBP4P2RX7TRPC5
SCHEMBL29329994 0.73 TRPC5 (0.56) TRPC5
SCHEMBL29329986 0.73 TRPC5 (0.56) TRPC5
SCHEMBL29330191 0.71 MKNK1 (0.43) PTPN11RBP4
SCHEMBL29329976 0.71 PARP1 (0.42) PTPN11P2RX7TRPC5

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