SCHEMBL2245299

SCHEMBL2245299

CN[C@@H](C)C(=O)Nc1cnc(-c2ccc(C)cc2)n(CC(=O)N[C@@H]2CCCc3ccccc32)c1=O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XIAP P98170 8/20 0.61
KMT2A Q03164 2/20 0.54
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 4/20 0.48
HPGD P15428 1/20 0.48
DHODH Q02127 1/20 0.47
ATM Q13315 1/20 0.47
BIRC3 Q13489 4/20 0.46
BIRC2 Q13490 4/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR139 Q6DWJ6 1/20 0.45

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
SCHEMBL2209958 0.96 XIAP (0.62) XIAPKMT2ALMNAGAAMAPT
SCHEMBL18494245 0.96 XIAP (0.62) XIAPKMT2ALMNAGAAMAPT
SCHEMBL2209986 0.96 XIAP (0.62) XIAPKMT2ALMNAGAAMAPT
SCHEMBL2212223 0.95 XIAP (0.61) XIAPKMT2ALMNAGAAMAPT
SCHEMBL2211890 0.95 XIAP (0.61) XIAPKMT2ALMNAGAAMAPT
SCHEMBL2583934 0.93 XIAP (0.57) XIAPKMT2ALMNAGAAMAPT
SCHEMBL2209871 0.93 XIAP (0.57) XIAPKMT2ALMNAGAAMAPT
SCHEMBL2212272 0.90 XIAP (0.64) XIAPKMT2AALDH1A1TSHRHPGD
SCHEMBL2212263 0.90 XIAP (0.64) XIAPKMT2AALDH1A1TSHRHPGD
SCHEMBL14174413 0.90 XIAP (0.57) XIAPKMT2ALMNAMAPTALDH1A1

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
EP-2099769-B1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-07-27 EP claimed