SCHEMBL29329546

SCHEMBL29329546

COc1cc(F)ccc1Sc1ncnc2c1CCNC2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CDK9 P50750 8/20 0.34
CCNT1 O60563 7/20 0.34
PRMT5 O14744 1/20 0.34
HTR6 P50406 2/20 0.33
CDK1 P06493 1/20 0.33
IDO1 P14902 1/20 0.33
LRRK2 Q5S007 1/20 0.32
PNMT P11086 1/20 0.32

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
SCHEMBL29330276 0.83 MAPK11 (0.36) MKNK1MKNK2CDK9CCNT1PNMT
SCHEMBL30603347 0.82 PTPN11 (0.38) MKNK1MKNK2
SCHEMBL29329164 0.82 PTPN11 (0.38) MKNK1MKNK2
SCHEMBL29330192 0.72 PTPN11 (0.38)
SCHEMBL30603355 0.70 DRD2 (0.36) PNMT
SCHEMBL29090285 0.70 DRD2 (0.36) PNMT
SCHEMBL29329343 0.69 TRPC5 (0.41)
SCHEMBL21807225 0.67 TRPC5 (0.55)
SCHEMBL29090296 0.67 KDR (0.41)
SCHEMBL18910920 0.67 DYRK1A (0.43)

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