SCHEMBL31455302

SCHEMBL31455302

COC(=O)[C@H]1CC[C@H](NC(C)(C)c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.63
AKT2 P31751 9/20 0.57
AKT3 Q9Y243 9/20 0.57
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C8 P10632 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54

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
SCHEMBL31455049 1.00 AKT1 (0.63) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL31455203 0.97 AKT1 (0.63) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL31455252 0.93 AKT1 (0.66) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL31455321 0.93 AKT1 (0.67) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL31455442 0.93 AKT1 (0.67) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL31455446 0.93 AKT1 (0.67) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL31455055 0.88 AKT1 (0.62) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL31455129 0.86 AKT1 (0.66) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL31455237 0.85 AKT1 (0.61) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL31455207 0.85 AKT1 (0.65) AKT1AKT2AKT3CYP1A2CYP3A4

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