SCHEMBL29314740

SCHEMBL29314740

CP(=O)(Cc1ccc(-c2cnc(N)c(N(N)Cc3ccc4ncccc4c3)n2)cc1)OCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.41
ATR Q13535 1/20 0.35
HDAC1 Q13547 1/20 0.33
ACVR1 Q04771 3/20 0.33
CDKL5 O76039 1/20 0.33
KLKB1 P03952 1/20 0.33
KLK1 P06870 1/20 0.33
GSK3B P49841 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
SCHEMBL29317711 0.90 MET (0.41) METATRHDAC1ACVR1KLKB1
SCHEMBL29317734 0.85 MET (0.43) METATRACVR1CDKL5KLKB1
SCHEMBL29317084 0.84 MET (0.43) METATRACVR1KLKB1KLK1
SCHEMBL29317202 0.79 ATR (0.41) METATRCDKL5
SCHEMBL29314967 0.78 MET (0.37) METATRHDAC1
SCHEMBL29317092 0.78 MET (0.43) METATR
SCHEMBL22109389 0.77 MET (0.40) METATR
SCHEMBL29314794 0.76 MET (0.39) METATRHDAC1ACVR1
SCHEMBL22109323 0.76 MET (0.66) MET
SCHEMBL29317775 0.76 MET (0.44) MET

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-3893872-B1 ORGANOPHOSPHORUS-SUBSTITUTED COMPOUNDS AS C-MET INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA INC (US) 2024-07-17 EP disclosed