SCHEMBL3476458

SCHEMBL3476458

COc1cc(-c2c(-c3ccc(F)cc3)nc3sc(N4CCC5(CCCNC5)CC4)nn23)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
KIT P10721 6/20 0.36
HASPIN Q8TF76 6/20 0.36
KCNH2 Q12809 3/20 0.36
FLT3 P36888 2/20 0.36
PIM1 P11309 1/20 0.36
CDK7 P50613 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
CSNK1E P49674 2/20 0.34
CSNK1D P48730 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
CDC42BPA Q5VT25 1/20 0.34
CDC42BPB Q9Y5S2 1/20 0.34
ADORA2A P29274 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL3476459 0.97 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14KIT
SCHEMBL3475362 0.90 CSNK1E (0.36) MAPK13MAPK12MAPK11MAPK14HASPIN
SCHEMBL3475363 0.87 CSNK1E (0.36) MAPK13MAPK12MAPK11MAPK14HASPIN
SCHEMBL3109345 0.84 CSNK1E (0.51) MAPK13MAPK12MAPK11MAPK14KIT
SCHEMBL3478546 0.81 PTGDR2 (0.39) MAPK13MAPK12MAPK11MAPK14KIT
SCHEMBL3477121 0.80 CSNK1E (0.50) MAPK13MAPK12MAPK11MAPK14KIT
SCHEMBL3116829 0.73 CSNK1E (0.53) PIM1CSNK1ECSNK1D
SCHEMBL17976971 0.72 CSNK1E (0.51) MAPK13MAPK12MAPK11MAPK14PIM1
SCHEMBL3476214 0.71 CSNK1E (0.49) MAPK13MAPK12MAPK11MAPK14CSNK1E
SCHEMBL3476211 0.71 CSNK1E (0.49) MAPK13MAPK12MAPK11MAPK14CSNK1E

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
WO-2010130934-A2 2-CYCLOAMINO-5-(PYRIDIN-4-YL)IMIDAZO[2,1-B][1,3,4]THIADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed