SCHEMBL16457484

SCHEMBL16457484

Cc1cn(CCN2CCCC2)c(C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
LMNA P02545 1/20 0.45
GPR119 Q8TDV5 4/20 0.43
MAPT P10636 2/20 0.42
THRB P10828 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 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
SCHEMBL9894068 0.91 TP53 (0.44) TP53LMNAGPR119MAPTTHRB
SCHEMBL1662370 0.89 TP53 (0.43) TP53LMNAGPR119MAPTTHRB
SCHEMBL16457724 0.88 TP53 (0.43) TP53LMNAGPR119MAPTTHRB
SCHEMBL16457354 0.88 TP53 (0.43) TP53LMNAGPR119MAPTTHRB
SCHEMBL1662356 0.88 TP53 (0.43) TP53LMNAGPR119MAPTTHRB
SCHEMBL16457314 0.88 RPS6KB1 (0.47) TP53LMNAGPR119MAPTTHRB
SCHEMBL16457324 0.88 GPR119 (0.45) LMNAGPR119MAPTTHRBKDM4E
SCHEMBL16457394 0.88 RPS6KB1 (0.50) TP53LMNAGPR119MAPTTHRB
SCHEMBL16457520 0.88 TP53 (0.42) TP53LMNAGPR119MAPTTHRB
SCHEMBL16457382 0.88 RPS6KB1 (0.48) TP53LMNAGPR119MAPTTHRB

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