SCHEMBL31455241

SCHEMBL31455241

COC(=O)[C@H]1CC[C@@H](CN2CCC(c3ccc(-n4c(-c5cccnc5N)nc5ccc(-c6ccccc6F)nc54)cc3)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.47
AKT2 P31751 12/20 0.44
AKT3 Q9Y243 12/20 0.44
CYP2C9 P11712 2/20 0.43

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
SCHEMBL31455690 1.00 AKT1 (0.47) AKT1AKT2AKT3CYP2C9
SCHEMBL31455178 1.00 AKT1 (0.47) AKT1AKT2AKT3CYP2C9
SCHEMBL31455551 1.00 AKT1 (0.47) AKT1AKT2AKT3CYP2C9
SCHEMBL31455569 1.00 AKT1 (0.47) AKT1AKT2AKT3CYP2C9
SCHEMBL31455450 1.00 AKT1 (0.47) AKT1AKT2AKT3CYP2C9
SCHEMBL31455501 1.00 AKT1 (0.47) AKT1AKT2AKT3CYP2C9
SCHEMBL31455560 0.92 AKT1 (0.56) AKT1AKT2AKT3CYP2C9
SCHEMBL31455260 0.92 AKT1 (0.56) AKT1AKT2AKT3CYP2C9
SCHEMBL31455341 0.92 AKT1 (0.46) AKT1AKT2AKT3CYP2C9
SCHEMBL31455041 0.92 AKT1 (0.46) AKT1AKT2AKT3CYP2C9

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed