SCHEMBL3477121

SCHEMBL3477121

COc1cc(-c2c(-c3ccc(F)cc3)nc3sc(N4CCNC(C)C4)nn23)ccn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 4/20 0.50
KIT P10721 3/20 0.38
MAPK14 Q16539 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
CSNK1D P48730 1/20 0.36
ADORA2A P29274 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KCNH2 Q12809 4/20 0.35
ZAP70 P43403 3/20 0.34
GSK3B P49841 1/20 0.33
GRM5 P41594 1/20 0.33
THRB P10828 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
SCHEMBL3477530 0.89 CSNK1E (0.52) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL13072854 0.86 CSNK1E (0.66) CSNK1EKITMAPK14MAPK13MAPK12
SCHEMBL3477533 0.85 CSNK1E (0.52) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL3111121 0.82 CSNK1E (0.75) CSNK1EKITMAPK14MAPK13MAPK12
SCHEMBL3111132 0.82 CSNK1E (0.75) CSNK1EKITMAPK14MAPK13MAPK12
SCHEMBL3478546 0.82 PTGDR2 (0.39) KITMAPK14MAPK13MAPK12MAPK11
SCHEMBL3476458 0.80 MAPK13 (0.37) CSNK1EKITMAPK14MAPK13MAPK12
SCHEMBL3476459 0.77 MAPK13 (0.39) CSNK1EKITMAPK14MAPK13MAPK12
SCHEMBL3113102 0.74 CSNK1E (0.60) CSNK1EKITMAPK14MAPK13MAPK12
SCHEMBL3113093 0.74 CSNK1E (0.60) CSNK1EKITMAPK14MAPK13MAPK12

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