SCHEMBL29317548

SCHEMBL29317548

CC(c1ccc2nccn2c1)N(N)c1nc(-c2ccc(P(C)(C)=O)cc2)cnc1N

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.37
NQO2 P16083 1/20 0.37
DYRK1A Q13627 2/20 0.37
JAK2 O60674 1/20 0.35
PIK3CA P42336 1/20 0.33
ACVR1 Q04771 2/20 0.32
HCRTR2 O43614 1/20 0.32
TGFBR1 P36897 4/20 0.32
ATR Q13535 2/20 0.31
ATM Q13315 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
GRM2 Q14416 1/20 0.31
SYK P43405 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
SCHEMBL29315243 0.87 MET (0.34) METNQO2DYRK1AJAK2PIK3CA
SCHEMBL22109191 0.85 MET (0.38) METNQO2DYRK1AJAK2PIK3CA
SCHEMBL29315788 0.84 MET (0.40) METNQO2DYRK1AJAK2HCRTR2
SCHEMBL29314148 0.83 MET (0.40) METDYRK1A
SCHEMBL20004070 0.83 MET (0.41) METNQO2DYRK1AJAK2PIK3CA
SCHEMBL25836231 0.81 MET (0.38) METNQO2DYRK1AJAK2PIK3CA
SCHEMBL29314918 0.75 MET (0.36) METNQO2DYRK1AJAK2PIK3CA
SCHEMBL30948875 0.73 MET (0.70) METNQO2
SCHEMBL22109176 0.73 MET (0.70) METNQO2
SCHEMBL29314927 0.70 MET (0.56) METNQO2

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