SCHEMBL31455003

SCHEMBL31455003

COC(=O)C1CCC(CN2CC(c3ccc(-n4c(-c5cccnc5N)nc5ccc(-c6ccccc6)cc54)cc3)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.43
AKT2 P31751 10/20 0.42
AKT3 Q9Y243 8/20 0.40
CYP2C9 P11712 2/20 0.39
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL31455387 0.93 KCNH2 (0.43) AKT1AKT2AKT3CYP2C9KCNH2
SCHEMBL31455245 0.92 AKT1 (0.42) AKT1AKT2AKT3
SCHEMBL31455248 0.88 AKT1 (0.56) AKT1AKT2AKT3
SCHEMBL31455270 0.88 AKT1 (0.40) AKT1AKT2AKT3CYP2C9KCNH2
SCHEMBL31454980 0.87 AKT1 (0.58) AKT1AKT2AKT3CYP2C9
SCHEMBL31454976 0.87 AKT1 (0.58) AKT1AKT2AKT3CYP2C9
SCHEMBL31455125 0.86 AKT1 (0.45) AKT1AKT2AKT3CYP2C9
SCHEMBL31455281 0.86 AKT1 (0.45) AKT1AKT2AKT3CYP2C9
SCHEMBL31455581 0.86 AKT1 (0.43) AKT1AKT2AKT3CYP2C9
SCHEMBL31455221 0.86 AKT1 (0.43) 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