SCHEMBL8096857

SCHEMBL8096857

COC(=O)[C@@H]1C[C@@H](C(=O)NC(C)(Cc2ccc(C#N)cc2)c2cnc[nH]2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.42
EGLN2 Q96KS0 1/20 0.35
JAK1 P23458 2/20 0.33
JAK2 O60674 1/20 0.33
AR P10275 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
STS P08842 1/20 0.31
ACACB O00763 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL8097494 1.00 GPR119 (0.42) GPR119EGLN2JAK1JAK2AR
SCHEMBL8444117 1.00 GPR119 (0.42) GPR119EGLN2JAK1JAK2AR
SCHEMBL8097497 1.00 GPR119 (0.42) GPR119EGLN2JAK1JAK2AR
SCHEMBL8098386 0.90 CYP11B1 (0.34) GPR119CYP11B1CYP11B2ACACB
SCHEMBL8098378 0.90 CYP11B1 (0.34) GPR119CYP11B1CYP11B2ACACB
SCHEMBL8095339 0.88 GPR119 (0.41) GPR119EGLN2JAK1JAK2AR
SCHEMBL8097792 0.87 CHRM4 (0.35) GPR119CYP11B1CYP11B2ACACB
SCHEMBL8097797 0.87 CHRM4 (0.35) GPR119CYP11B1CYP11B2ACACB
SCHEMBL8088811 0.87 GPR119 (0.44) GPR119JAK1JAK2IRAK4CYP11B1
SCHEMBL8098346 0.86 HRH3 (0.33) GPR119CYP11B1CYP11B2

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