SCHEMBL29330192

SCHEMBL29330192

COc1nc2c(c(Sc3ccc(F)cc3C(F)(F)F)n1)CCNC2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.38
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 3/20 0.33
AURKA O14965 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 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
SCHEMBL29329894 0.86 HTR2C (0.37) PTPN11HTR2AHTR2CHTR2BAURKA
SCHEMBL29330067 0.85 PTPN11 (0.35) PTPN11HTR2AHTR2CHTR2BSLC6A2
SCHEMBL29329164 0.80 PTPN11 (0.38) PTPN11HTR2AHTR2CHTR2BAURKA
SCHEMBL30603347 0.80 PTPN11 (0.38) PTPN11HTR2AHTR2CHTR2BAURKA
SCHEMBL29330191 0.75 MKNK1 (0.43) PTPN11
SCHEMBL21807239 0.73 HTR1A (0.42) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL29329546 0.72 MKNK1 (0.35)
SCHEMBL29090285 0.69 DRD2 (0.36) HTR2C
SCHEMBL30603355 0.69 DRD2 (0.36) HTR2C
SCHEMBL29329813 0.68 TRPC5 (0.47) HTR2AHTR2CHTR2BAURKASLC6A2

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