SCHEMBL2589948

SCHEMBL2589948

COc1cc(CC(NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C(=O)OC(C)(C)C)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.63
RPS6KB1 P23443 1/20 0.53
FLT4 P35916 1/20 0.53
FLT3 P36888 1/20 0.53
RPS6KA3 P51812 1/20 0.53
PRKAA1 Q13131 1/20 0.53
PRKD2 Q9BZL6 1/20 0.53

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
SCHEMBL14774962 0.95 CHEK1 (0.63) CHEK1RPS6KB1FLT4FLT3RPS6KA3
SCHEMBL2589950 0.83 CHEK1 (0.63) CHEK1RPS6KB1FLT4FLT3RPS6KA3
SCHEMBL2596018 0.81 CHEK1 (0.61) CHEK1RPS6KB1FLT4FLT3RPS6KA3
SCHEMBL14774902 0.78 CHEK1 (0.63) CHEK1RPS6KB1FLT4FLT3RPS6KA3
SCHEMBL2589949 0.78 CHEK1 (0.57) CHEK1
SCHEMBL14762159 0.78 CHEK1 (0.69) CHEK1RPS6KB1FLT4FLT3RPS6KA3
SCHEMBL2595457 0.77 CHEK1 (1.00) CHEK1
SCHEMBL2596264 0.77 MAPT (0.47)
Hydrochloric Acid SCHEMBL2589889 0.77 CHEK1 (0.99) CHEK1
SCHEMBL2589894 0.76 CHEK1 (1.00) CHEK1

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-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 WO disclosed