SCHEMBL29330133

SCHEMBL29330133

COc1nc2c(c(Sc3ccc(F)cc3C(F)(F)F)n1)CCN(/C(C=N)=C(\Cl)C(N)=O)C2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.35
TRPC5 Q9UL62 4/20 0.33
RBP4 P02753 2/20 0.33
ITGB2 P05107 3/20 0.32
ICAM1 P05362 3/20 0.32
ITGAL P20701 3/20 0.32
GRM2 Q14416 3/20 0.32
P2RX7 Q99572 5/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
TRPC4 Q9UBN4 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31

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
SCHEMBL29329900 0.91 P2RX7 (0.37) PTPN11TRPC5RBP4GRM2P2RX7
SCHEMBL29330071 0.89 PTPN11 (0.34) PTPN11TRPC5RBP4GRM2P2RX7
SCHEMBL29330195 0.85 TRPC5 (0.33) TRPC5RBP4
SCHEMBL29330191 0.82 MKNK1 (0.43) PTPN11RBP4MKNK1
SCHEMBL29328670 0.81 TRPC5 (0.34) PTPN11TRPC5RBP4P2RX7DPP4
SCHEMBL29330913 0.75 P2RX7 (0.36) TRPC5RBP4P2RX7TRPC4
SCHEMBL29329976 0.74 PARP1 (0.42) PTPN11TRPC5P2RX7MKNK1
SCHEMBL29328686 0.74 P2RX7 (0.36) TRPC5P2RX7DPP4DPP8DPP7
SCHEMBL29330066 0.71 PARP1 (0.39) PTPN11RBP4MKNK1
SCHEMBL29330192 0.71 PTPN11 (0.38) PTPN11

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