SCHEMBL10188885

SCHEMBL10188885

Cc1cc(F)c(-c2nc3ccc(C#N)cc3[nH]2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.57
PKN2 Q16513 1/20 0.57
METAP2 P50579 1/20 0.53
METAP1 P53582 1/20 0.53
CSNK1D P48730 4/20 0.51
CSNK1G2 P78368 3/20 0.51
CSNK1A1 P48729 2/20 0.51
GSK3B P49841 2/20 0.51
CHEK2 O96017 1/20 0.50
KCNH2 Q12809 2/20 0.48
DGAT1 O75907 1/20 0.48
SOAT1 P35610 1/20 0.48
PIN1 Q13526 1/20 0.48
SSTR2 P30874 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.45
CFB P00751 7/20 0.45
ATR Q13535 1/20 0.44
RHEB Q15382 1/20 0.44

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) PKN1PKN2METAP2METAP1CSNK1D
SCHEMBL20982510 0.77 PKN1 (0.82) PKN1PKN2METAP2METAP1CSNK1D
SCHEMBL1253278 0.76 PKN1 (0.58) PKN1PKN2METAP2METAP1CSNK1D
SCHEMBL12430878 0.76 CSNK1D (0.61) PKN1PKN2METAP2METAP1CSNK1D
SCHEMBL29439000 0.76 CSNK1D (0.61) PKN1PKN2METAP2METAP1CSNK1D
SCHEMBL18764054 0.74 CHEK2 (0.78) PKN1PKN2METAP2METAP1CSNK1D
SCHEMBL11293385 0.74 PKN1 (0.62) PKN1PKN2METAP2METAP1CSNK1D
SCHEMBL903006 0.73 METAP2 (0.61) PKN1PKN2METAP2METAP1CSNK1D
SCHEMBL10188887 0.73 PKN1 (0.54) PKN1PKN2METAP2METAP1CSNK1D
SCHEMBL16604324 0.72 ALDH1A1 (0.50)

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