SCHEMBL31455477

SCHEMBL31455477

Cc1nc(NC(=O)C2CCC(C(=O)O)CC2)ccc1-n1c(-c2cccnc2N)nc2ccc(-c3ccccn3)cc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 15/20 0.46
ABL1 P00519 2/20 0.43
GSK3B P49841 2/20 0.41
DYRK1A Q13627 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
AKT2 P31751 9/20 0.40
AKT3 Q9Y243 9/20 0.40
CYP2C9 P11712 4/20 0.39
CYP2C8 P10632 2/20 0.38
CYP2D6 P10635 2/20 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
SCHEMBL31455265 0.94 AKT1 (0.45) AKT1ABL1GSK3BAKT2AKT3
SCHEMBL31455126 0.87 AKT1 (0.43) AKT1ABL1GSK3BDYRK1AAKT2
SCHEMBL31455192 0.86 AKT1 (0.45) AKT1ABL1GSK3BDYRK1AAKT2
SCHEMBL31455156 0.85 AKT1 (0.54) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455456 0.85 AKT1 (0.54) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455159 0.83 AKT1 (0.53) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455166 0.81 AKT1 (0.50) AKT1ABL1GSK3BAKT2AKT3
SCHEMBL31455544 0.80 AKT1 (0.53) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455149 0.80 AKT1 (0.53) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455290 0.80 AKT1 (0.53) AKT1AKT2AKT3CYP2C9CYP2C8

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