SCHEMBL3268792

SCHEMBL3268792

NC(=O)Oc1[nH]c2sccc2c1Sc1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.36
MAPK13 O15264 1/20 0.36
DAPK3 O43293 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIM1 P11309 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
NEK4 P51957 1/20 0.36
MAPK12 P53778 1/20 0.36
CSNK2A1 P68400 1/20 0.36
ROCK1 Q13464 1/20 0.36
DYRK1A Q13627 1/20 0.36
PKN2 Q16513 1/20 0.36
PIM3 Q86V86 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK4 Q9NR20 1/20 0.36
TYMS P04818 9/20 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
SCHEMBL3270312 0.88 TNKS2 (0.39) PARP15TNKS2TNKSPARP1PARP10
SCHEMBL3269142 0.82 PARP15 (0.33) TYMSDHFRPARP15TNKS2TNKS
SCHEMBL3268877 0.81 PARP15 (0.35) PARP15TNKS2TNKSPARP1PARP10
SCHEMBL3167801 0.81 PTGS2 (0.39) CDC7MAPK13DAPK3ROCK2MAP4K4
SCHEMBL3268326 0.81 CCNC (0.33) CDC7TYMSDHFRDDAH1NOS1
SCHEMBL3272415 0.80 ICAM1 (0.36) PARP15TNKS2TNKSPARP1PARP2
SCHEMBL3268815 0.80 TNKS2 (0.38) TYMSPARP15TNKS2TNKSPARP1
SCHEMBL3269919 0.79 PDE4B (0.38) TYMSDHFRPARP15TNKS2TNKS
SCHEMBL3268262 0.79 ICAM1 (0.38) PARP15TNKS2TNKSPARP1PARP10
SCHEMBL3275192 0.78 EDNRA (0.46) CSNK2A1PARP15TNKS2PARP1PARP10

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
EP-1784409-B1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2010-06-16 EP claimed