SCHEMBL29315788

SCHEMBL29315788

CC(c1ccc2nccn2c1)N(N)c1nc(-c2cnn(CP(C)(C)=O)c2)cnc1N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.40
NQO2 P16083 1/20 0.40
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
ATR Q13535 1/20 0.33
DYRK1A Q13627 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
JAK2 O60674 1/20 0.32
MAPK1 P28482 1/20 0.31
HCRTR2 O43614 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
SCHEMBL29317783 0.85 MET (0.41) METNQO2IKBKETBK1ATR
SCHEMBL29317548 0.84 MET (0.37) METNQO2ATRDYRK1AJAK2
SCHEMBL29314852 0.81 MET (0.45) MET
SCHEMBL20004070 0.80 MET (0.41) METNQO2DYRK1AJAK2HCRTR2
SCHEMBL29315243 0.79 MET (0.34) METNQO2DYRK1AJAK2HCRTR2
SCHEMBL25836231 0.78 MET (0.38) METNQO2DYRK1AFGFR1FGFR2
SCHEMBL22109191 0.78 MET (0.38) METNQO2DYRK1AJAK2
SCHEMBL21167598 0.76 MET (0.48) METNQO2HCRTR2
SCHEMBL22109153 0.75 MET (0.72) METNQO2
SCHEMBL29314973 0.73 MET (0.60) 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