SCHEMBL9411950

SCHEMBL9411950

COC(=O)N(C)Cn1c(C#N)nc2c(Br)cc(C(F)(F)F)cc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.33
GRM2 Q14416 1/20 0.32
DDR1 Q08345 2/20 0.32
NOTUM Q6P988 1/20 0.32
CACNA1G O43497 2/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
EIF4EBP1 Q13541 3/20 0.31
CTSK P43235 2/20 0.31
KCNH2 Q12809 2/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
PDE2A O00408 1/20 0.30
CACNA1H O95180 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL74206 0.71 DDR1 (0.37) RIPK1GRM2DDR1
SCHEMBL8947553 0.59 GRM2 (0.36) RIPK1GRM2DDR1CACNA1HEGLN1
SCHEMBL545041 0.57 NOTUM (0.60) NOTUMGPBAR1
SCHEMBL2389665 0.57 GPBAR1 (0.48) NOTUMCTSKKCNH2GPBAR1
SCHEMBL23065961 0.56 NOTUM (0.54) NOTUM
SCHEMBL5224905 0.56 SOS1 (0.55) NOTUM
SCHEMBL25406281 0.56 MLYCD (0.41) NOTUMGPBAR1
SCHEMBL23065962 0.56 NOTUM (0.50) NOTUM
SCHEMBL28749071 0.55 SOS1 (0.61) NOTUM
SCHEMBL30033650 0.55 CFTR (0.55) NOTUM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6227919-A None JP disclosed
JP-H06227919-A USE OF CN-SUBSTITUTED BENZIMIDAZOLE BAYER AG 1994-08-16 JP disclosed