SCHEMBL902863

SCHEMBL902863

Cc1ccc(-c2nc3ccc(C#N)cc3[nH]2)c(F)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
CSNK1D P48730 2/20 0.52
CSNK1G2 P78368 2/20 0.52
CSNK1A1 P48729 1/20 0.52
GSK3B P49841 1/20 0.52
METAP2 P50579 1/20 0.51
METAP1 P53582 1/20 0.51
AMY1A P0DUB6 3/20 0.50
KCNH2 Q12809 2/20 0.50
SSTR2 P30874 1/20 0.50
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

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
SCHEMBL10188887 0.84 PKN1 (0.54) PKN1PKN2CSNK1DCSNK1G2CSNK1A1
SCHEMBL10188885 0.84 PKN1 (0.57) PKN1PKN2CSNK1DCSNK1G2CSNK1A1
SCHEMBL20982510 0.75 PKN1 (0.82) PKN1PKN2CSNK1DCSNK1G2CSNK1A1
SCHEMBL29439000 0.74 CSNK1D (0.61) PKN1PKN2CSNK1DCSNK1G2CSNK1A1
SCHEMBL12430878 0.74 CSNK1D (0.61) PKN1PKN2CSNK1DCSNK1G2CSNK1A1
SCHEMBL10188888 0.73 PKN1 (0.51) PKN1PKN2CSNK1DCSNK1G2CSNK1A1
SCHEMBL23567193 0.72 PKN1 (0.56) PKN1PKN2CSNK1DCSNK1G2CSNK1A1
SCHEMBL11293385 0.72 PKN1 (0.62) PKN1PKN2CSNK1DCSNK1G2CSNK1A1
SCHEMBL18764054 0.72 CHEK2 (0.78) PKN1PKN2CSNK1DCSNK1G2CSNK1A1
SCHEMBL21975923 0.71 NPC1 (0.62) METAP2METAP1AMY1AMAPTKDM4E

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