SCHEMBL31455175

SCHEMBL31455175

Nc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)cc32)cn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.48
AKT2 P31751 14/20 0.48
AKT3 Q9Y243 7/20 0.48
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C8 P10632 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
AOC3 Q16853 1/20 0.42

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
Hydrochloric Acid SCHEMBL31420267 0.83 AKT1 (0.69) AKT1AKT2AKT3CYP2C9
SCHEMBL31455083 0.81 AKT1 (0.73) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL31455193 0.80 AKT1 (0.46) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL31455166 0.80 AKT1 (0.50) AKT1AKT2AKT3
SCHEMBL31455152 0.79 AKT1 (0.44) AKT1AKT2AKT3CYP2C9
SCHEMBL31455139 0.78 AKT1 (0.50) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL31455130 0.77 AKT1 (0.48) AKT1AKT2AKT3CYP2C8CYP2D6
SCHEMBL31455380 0.77 AKT1 (0.49) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL31455097 0.75 AKT1 (0.55) AKT1AKT2AKT3CYP2C8CYP2D6
SCHEMBL30815520 0.71 AKT1 (0.50) AKT1AKT2AKT3CYP2C8CYP2C9

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