SCHEMBL31455460

SCHEMBL31455460

Cc1cc2nc(-c3cccnc3N)n(-c3ccc(C4CNC4)cc3)c2nc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.49
AKT2 P31751 13/20 0.49
AKT3 Q9Y243 6/20 0.49
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C8 P10632 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47

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
SCHEMBL31420356 0.84 AKT1 (0.68) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL31455358 0.82 AKT1 (0.47) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL31455193 0.81 AKT1 (0.46) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL31455068 0.80 AKT1 (0.46) AKT1AKT2AKT3
SCHEMBL31455300 0.80 AKT1 (0.46) AKT1AKT2AKT3
SCHEMBL21350173 0.80 AKT1 (0.73) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL31455165 0.80 AKT1 (0.68) AKT1AKT2AKT3
SCHEMBL31455817 0.79 AKT1 (0.53) AKT1AKT2AKT3CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL31420259 0.78 AKT1 (0.60) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL31455376 0.78 AKT1 (0.64) 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