SCHEMBL10189650

SCHEMBL10189650

CCOc1cc(C)ncc1-c1nc2ccc(C#N)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
CHEK2 O96017 1/20 0.45
KCNH2 Q12809 2/20 0.43
SSTR2 P30874 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
GSK3B P49841 1/20 0.43
CSNK1G2 P78368 1/20 0.43
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
MAOB P27338 1/20 0.41
MAP3K8 P41279 1/20 0.41
CFB P00751 5/20 0.41
ATR Q13535 1/20 0.41

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
SCHEMBL10188888 0.81 PKN1 (0.51) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL11021674 0.81 METAP2 (0.46) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL11018070 0.79 METAP2 (0.44) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL11022217 0.79 ATR (0.53) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL11021091 0.78 ATR (0.48) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL11018831 0.78 TOP1 (0.46) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL11021240 0.77 MAPT (0.46) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL11021741 0.77 ATR (0.44) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL14514686 0.76 RHEB (0.57) METAP2METAP1PKN1PKN2CHEK2
Hydrochloric Acid SCHEMBL5647675 0.76 RHEB (0.56) METAP2METAP1PKN1PKN2CHEK2

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