SCHEMBL29314985

SCHEMBL29314985

CC(C)(Nc1nc(-c2ccc(CP(C)(=O)O)cc2)cnc1N)c1ccc2ncccc2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.40
ADORA2A P29274 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ATR Q13535 1/20 0.37
SYK P43405 2/20 0.37
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
HDAC1 Q13547 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
CDKL5 O76039 1/20 0.34

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
SCHEMBL29314805 0.82 LDHB (0.48) METADORA2AATRCLK1LDHA
SCHEMBL29315062 0.79 MET (0.41) METATRSYKHDAC1CDKL5
SCHEMBL29314644 0.77 LDHA (0.43) METHDAC6ATRSYKLDHA
SCHEMBL29317734 0.76 MET (0.43) METHDAC6ATRCDKL5
SCHEMBL29314988 0.75 MET (0.49) MET
SCHEMBL29315639 0.74 LDHA (0.44) METATRSYKLDHALDHB
SCHEMBL29314890 0.73 MET (0.39) METADORA2AATR
SCHEMBL22109175 0.73 MET (0.52) MET
SCHEMBL29314116 0.72 MET (0.41) METHDAC6ATRSYKLDHA
SCHEMBL29315036 0.72 ADORA2A (0.33) METADORA2AHDAC6HDAC1

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