SCHEMBL8095339

SCHEMBL8095339

COC(=O)C1CC(C(=O)C(C)(Cc2ccc(C#N)cc2)c2cnc[nH]2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.41
EGLN2 Q96KS0 1/20 0.36
JAK1 P23458 2/20 0.34
AR P10275 1/20 0.34
JAK2 O60674 1/20 0.34
KDM1A O60341 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE4B Q07343 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CETP P11597 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL8097497 0.88 GPR119 (0.42) GPR119EGLN2JAK1ARJAK2
SCHEMBL8097494 0.88 GPR119 (0.42) GPR119EGLN2JAK1ARJAK2
SCHEMBL8444117 0.88 GPR119 (0.42) GPR119EGLN2JAK1ARJAK2
SCHEMBL8096857 0.88 GPR119 (0.42) GPR119EGLN2JAK1ARJAK2
SCHEMBL8098378 0.77 CYP11B1 (0.34) GPR119KDM1ACYP11B1CYP11B2HRH3
SCHEMBL8098386 0.77 CYP11B1 (0.34) GPR119KDM1ACYP11B1CYP11B2HRH3
SCHEMBL8088811 0.76 GPR119 (0.44) GPR119JAK1JAK2CYP11B1CYP11B2
SCHEMBL8097797 0.75 CHRM4 (0.35) GPR119CYP11B1CYP11B2HRH3
SCHEMBL8097792 0.75 CHRM4 (0.35) GPR119CYP11B1CYP11B2HRH3
SCHEMBL8101922 0.74 CYP19A1 (0.34) GPR119

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
US-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed