SCHEMBL31455476

SCHEMBL31455476

COC(=O)C1CCC(C(=O)Nc2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccn5)cc43)nc2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.44
ABL1 P00519 2/20 0.40
AKT2 P31751 9/20 0.39
AKT3 Q9Y243 9/20 0.39
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
CYP2C9 P11712 4/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2C8 P10632 2/20 0.37
CYP2D6 P10635 2/20 0.37

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
SCHEMBL31455042 1.00 AKT1 (0.44) AKT1ABL1AKT2AKT3GSK3B
SCHEMBL31455192 0.93 AKT1 (0.45) AKT1ABL1AKT2AKT3GSK3B
SCHEMBL31455126 0.79 AKT1 (0.43) AKT1ABL1AKT2AKT3GSK3B
SCHEMBL31455477 0.79 AKT1 (0.46) AKT1ABL1AKT2AKT3GSK3B
SCHEMBL31455474 0.78 AKT1 (0.53) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455130 0.78 AKT1 (0.48) AKT1ABL1AKT2AKT3GSK3B
SCHEMBL31455387 0.77 KCNH2 (0.43) AKT1AKT2AKT3CYP2C9
SCHEMBL31455330 0.75 AKT1 (0.57) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455035 0.75 AKT1 (0.46) AKT1ABL1AKT2AKT3CYP2C9
SCHEMBL31455279 0.75 ABL1 (0.48) ABL1GSK3BDYRK1AKDM4EHSD17B10

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