SCHEMBL4033192

SCHEMBL4033192

NC(=O)Oc1[nH]c2cccnc2c1Sc1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 5/20 0.38
PKN2 Q16513 5/20 0.38
PLK4 O00444 1/20 0.38
MAPK13 O15264 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KA5 O75582 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38
PIM1 P11309 1/20 0.38
PHKG2 P15735 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CSNK1D P48730 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
PRKX P51817 1/20 0.38
PRKCZ Q05513 1/20 0.38
STK3 Q13188 1/20 0.38

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
SCHEMBL4035502 0.91 TUBB4A (0.39) PARP1PARP2PDE5AJAK2KMT2A
SCHEMBL4035489 0.88 SLC6A4 (0.43) CHEK2PARP1KMT2AMEN1
SCHEMBL4032967 0.88 SMN1; SMN2 (0.41) PDE5AKMT2AMEN1
SCHEMBL4034008 0.85 LMNA (0.37) PKN1PKN2PARP1PDE5AJAK2
SCHEMBL4039619 0.84 MAPT (0.46) PARP1TYMSKMT2AMEN1
SCHEMBL4036370 0.84 PARP1 (0.37) PKN1PKN2PLK4MAPK13DYRK3
SCHEMBL4033284 0.83 PTGS1 (0.37) PARP1PARP2PDE5AJAK2KCNMA1
SCHEMBL4033058 0.83 TYMS (0.37) PKN1PKN2JAK2TYMSKMT2A
SCHEMBL4035517 0.83 TYMS (0.37) PKN1PKN2RPS6KB1MAPK14JAK2
SCHEMBL4043268 0.83 PKN1 (0.36) PKN1PKN2PARP1JAK2KMT2A

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-1747220-B1 SUBSTITUTED 1H-PYRROLO[3,2-B, 3,2-C, AND 2,3-C]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2009-04-15 EP claimed