SCHEMBL31455286

SCHEMBL31455286

CC(C)Oc1ccc2nc(-c3cccnc3N)n(-c3ccc(NC(=O)C4CCC(C(=O)O)CC4)nc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.45
AKT1 P31749 11/20 0.44
AKT2 P31751 3/20 0.38
AKT3 Q9Y243 2/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 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
SCHEMBL31455431 0.93 ABL1 (0.45) ABL1AKT1AKT2AKT3CYP2C8
SCHEMBL31455101 0.89 AKT1 (0.44) ABL1AKT1AKT2AKT3
SCHEMBL31455166 0.87 AKT1 (0.50) ABL1AKT1AKT2AKT3
SCHEMBL31454982 0.86 AKT1 (0.45) ABL1AKT1AKT2AKT3CYP2C8
SCHEMBL31455914 0.85 AKT1 (0.48) AKT1AKT2AKT3
SCHEMBL31455139 0.83 AKT1 (0.50) ABL1AKT1AKT2AKT3CYP2C8
SCHEMBL31455029 0.83 AKT1 (0.43) ABL1AKT1AKT2AKT3CYP2C8
SCHEMBL31455739 0.83 AKT1 (0.46) AKT1AKT2AKT3
SCHEMBL31455130 0.83 AKT1 (0.48) ABL1AKT1AKT2AKT3CYP2C8
SCHEMBL31455380 0.81 AKT1 (0.49) AKT1AKT2AKT3CYP2C8CYP2D6

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