SCHEMBL16457367

SCHEMBL16457367

COCCc1cn(CCN2CCCC2)c(C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
SYK P43405 1/20 0.42
NSD2 O96028 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
PRKCB P05771 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AKT1 P31749 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
THRB P10828 3/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL16457514 0.90 TP53 (0.44) TP53LMNAKDM4EHPGDMEN1
SCHEMBL16457697 0.89 KDM4E (0.44) TP53LMNAKDM4EHPGDMEN1
SCHEMBL16457157 0.89 TP53 (0.44) TP53LMNAKDM4EHPGDMEN1
SCHEMBL9894068 0.88 TP53 (0.44) TP53LMNAKDM4EHPGDMEN1
SCHEMBL1662482 0.88 PRKCB (0.53) TP53LMNAKDM4EHPGDNSD2
SCHEMBL9894161 0.85 TP53 (0.42) TP53LMNAKDM4EHPGDALDH1A1
SCHEMBL16457344 0.85 PRKCB (0.43) TP53LMNAKDM4EHPGDPRKCB
SCHEMBL16457484 0.85 TP53 (0.45) TP53LMNAKDM4EHPGDTHRB
SCHEMBL1662370 0.85 TP53 (0.43) TP53LMNAKDM4EHPGDMEN1
SCHEMBL16457090 0.85 SYK (0.43) KDM4EHPGDMEN1ALDH1A1KMT2A

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-2491032-B1 AKT INHIBITORS LILLY CO ELI (US) 2014-04-16 EP disclosed