SCHEMBL31455488

SCHEMBL31455488

CC(C)(C)OC(=O)Nc1ccc(-n2c(-c3cccnc3N)nc3ccc(Br)cc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.53
AKT2 P31751 11/20 0.46
AKT3 Q9Y243 9/20 0.46
CYP2C9 P11712 3/20 0.43
MAP4K4 O95819 1/20 0.42
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL31455288 0.90 AKT1 (0.53) AKT1AKT2AKT3CYP2C9MAP4K4
SCHEMBL31420299 0.87 AKT1 (0.55) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455458 0.85 AKT1 (0.49) AKT1AKT2AKT3CYP2C9
SCHEMBL12419349 0.84 AKT1 (0.75) AKT1AKT2AKT3CYP2C9
SCHEMBL31455457 0.83 AKT1 (0.47) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455337 0.82 AKT1 (0.45) AKT1AKT2AKT3CYP2C9MAP4K4
SCHEMBL31455216 0.81 AKT1 (0.42) AKT1AKT2AKT3
SCHEMBL31455184 0.80 AKT1 (0.67) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL30815441 0.78 AKT1 (0.51) AKT1AKT2AKT3CYP2C9
SCHEMBL27226074 0.78 AKT1 (0.51) 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