SCHEMBL3673625

SCHEMBL3673625

Cc1cccc2[nH]nc(C#N)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
MAP2K4 P45985 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
MAPK6 Q16659 1/20 0.47
MAP2K1 Q02750 1/20 0.47
ADRA2A P08913 1/20 0.40
LRRK2 Q5S007 2/20 0.37
USP8 P40818 1/20 0.36
PDPK1 O15530 2/20 0.36
GPR84 Q9NQS5 1/20 0.36
GAA P10253 1/20 0.36
MET P08581 2/20 0.35
TSHR P16473 2/20 0.35
ERBB2 P04626 1/20 0.34
KDR P35968 3/20 0.33
FLT3 P36888 3/20 0.33
PLK4 O00444 2/20 0.33
CHEK1 O14757 2/20 0.33
AURKA O14965 2/20 0.33
ROCK2 O75116 2/20 0.33

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
SCHEMBL30201734 1.00 MAPK1 (0.47) MAPK1MAP2K4MAPKAPK2MAPK6MAP2K1
SCHEMBL19115758 0.80 MAP2K1 (0.38) MAPK1MAP2K4MAPKAPK2MAPK6MAP2K1
SCHEMBL25206592 0.79 MAP2K1 (0.47) MAPK1MAP2K1PDPK1GAAMET
SCHEMBL16252835 0.79 MAP2K1 (0.47) MAPK1MAP2K1LRRK2PDPK1GPR84
SCHEMBL8404437 0.75 MAPK1 (0.54) MAPK1MAP2K4MAPKAPK2MAPK6MAP2K1
SCHEMBL24857862 0.74 USP8 (0.32) MAPK1MAP2K4MAPKAPK2MAPK6USP8
SCHEMBL26096218 0.74 MAP2K1 (0.36) MAP2K1LRRK2ERBB2KDRFLT3
SCHEMBL19115902 0.73 ERBB2 (0.35) MAPK1MAP2K1ERBB2GRM5
SCHEMBL19104234 0.73 ERBB2 (0.34) MAPK1MAP2K4MAPKAPK2MAPK6MAP2K1
SCHEMBL5748255 0.73 MET (0.43) MAPK1USP8GAAMETTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3732210-A1 COMPOSITION INCLUDING MULTIPLE TERMINALLY FUNCTIONALIZED POLYMERS Bridgestone Corporation (JP) 2020-11-04 EP disclosed
EP-2203482-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS Bridgestone Corporation (JP) 2010-07-07 EP disclosed
WO-2009051700-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (US) 2009-04-23 WO disclosed
WO-2009051702-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-04-23 WO disclosed