SCHEMBL29329348

SCHEMBL29329348

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.34
P2RX7 Q99572 1/20 0.34
MAPK14 Q16539 1/20 0.33
EGFR P00533 2/20 0.31
KDR P35968 2/20 0.31
TRPC5 Q9UL62 1/20 0.31
ENPP2 Q13822 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL29330204 0.93 P2RX7 (0.39) MKNK1P2RX7MAPK14EGFRKDR
SCHEMBL29329527 0.91 P2RX7 (0.33) MKNK1P2RX7EGFRKDRTRPC5
SCHEMBL29329068 0.91 TRPC5 (0.38) MKNK1P2RX7TRPC5ENPP2
SCHEMBL27123762 0.79 TRPC5 (0.44) P2RX7KDRTRPC5
SCHEMBL29329821 0.77 TRPC5 (0.35) TRPC5
SCHEMBL29330501 0.77 MKNK1 (0.36) MKNK1P2RX7MAPK14KDM4EMEN1
SCHEMBL29329699 0.77 TRPC5 (0.49) P2RX7KDRTRPC5
SCHEMBL29329558 0.76 TRPC5 (0.42) P2RX7TRPC5
SCHEMBL29330999 0.73 TRPC5 (0.43) P2RX7KDRTRPC5
SCHEMBL29328354 0.69 ATG7 (0.32) P2RX7

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