SCHEMBL27782819

SCHEMBL27782819

Cc1cc(C(=O)c2c[nH]c3nccc(-c4ccc(C(=O)N=[N+]=[N-])cc4)c23)no1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.35
DYRK1B Q9Y463 2/20 0.35
CDC7 O00311 1/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
MAPK13 O15264 1/20 0.35
PDPK1 O15530 1/20 0.35
DAPK3 O43293 1/20 0.35
DYRK3 O43781 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
PRKCG P05129 1/20 0.35
CDK1 P06493 1/20 0.35
ROS1 P08922 1/20 0.35
PIM1 P11309 1/20 0.35
PHKG2 P15735 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35

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
SCHEMBL28784048 0.91 LRRK2 (0.37) LRRK2DYRK1BPRKCISTK3BRD4
SCHEMBL858348 0.85 MAPK8 (0.51) LRRK2DYRK1BCDC7PLK4CHEK1
SCHEMBL858144 0.83 LRRK2 (0.46) LRRK2DYRK1BCDC7PLK4CHEK1
SCHEMBL858159 0.79 HSD17B10 (0.46) LRRK2DYRK1BROCK2ROCK1CDC42BPA
SCHEMBL858955 0.78 PRKAG1 (0.43) AXLCLK2RPS6KA3PRKAA1MKNK2
SCHEMBL858863 0.77 PRKCI (0.49) LRRK2DYRK1BCDC7PLK4CHEK1
SCHEMBL857795 0.77 LRRK2 (0.48) LRRK2DYRK1BCDK1CDK2AXL
SCHEMBL878866 0.74 USP2 (0.50) LRRK2SYKMELKSMN1; SMN2MAPT
SCHEMBL857913 0.74 CAMKK2 (0.40) LRRK2ROCK2SYKNPC1CAMKK2
SCHEMBL858970 0.73 CHUK (0.44) LRRK2CDK2MAPK8GSK3BROCK1

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
CN-1925855-B Compounds and methods for development of Ret modulators PLEXXIKON INC 2010-06-16 CN claimed