SCHEMBL10188887

SCHEMBL10188887

Cc1ccc(-c2nc3ccc(C#N)cc3[nH]2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.54
PKN2 Q16513 1/20 0.54
CSNK1A1 P48729 1/20 0.52
CSNK1D P48730 1/20 0.52
GSK3B P49841 1/20 0.52
CSNK1G2 P78368 1/20 0.52
RHEB Q15382 1/20 0.51
METAP2 P50579 1/20 0.51
METAP1 P53582 1/20 0.51
CHEK2 O96017 1/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL902863 0.84 PKN1 (0.54) PKN1PKN2CSNK1A1CSNK1DGSK3B
SCHEMBL10188888 0.84 PKN1 (0.51) PKN1PKN2CSNK1A1CSNK1DGSK3B
SCHEMBL10188889 0.77 SCD (0.61) MAPTNPBWR1
SCHEMBL1253278 0.77 PKN1 (0.58) PKN1PKN2CSNK1A1CSNK1DGSK3B
SCHEMBL20982510 0.75 PKN1 (0.82) PKN1PKN2CSNK1A1CSNK1DGSK3B
SCHEMBL3341423 0.75 PKN1 (0.72) PKN1PKN2CSNK1A1CSNK1DGSK3B
SCHEMBL5655332 0.75 RHEB (0.67) PKN1PKN2RHEBMETAP2METAP1
SCHEMBL1245514 0.74 PIN1 (0.58) PKN1PKN2CSNK1A1CSNK1DGSK3B
SCHEMBL12430878 0.74 CSNK1D (0.61) PKN1PKN2CSNK1A1CSNK1DGSK3B
SCHEMBL29439000 0.74 CSNK1D (0.61) PKN1PKN2CSNK1A1CSNK1DGSK3B

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-2012044567-A2 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed