SCHEMBL31455377

SCHEMBL31455377

Nc1ncccc1-c1nc2ccc(-c3ccccc3F)nc2n1-c1ccc(C2CCNC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.51
AKT2 P31751 13/20 0.51
AKT3 Q9Y243 12/20 0.51
CYP3A4 P08684 4/20 0.51
CYP2D6 P10635 4/20 0.51
CYP2C9 P11712 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C8 P10632 2/20 0.51
CYP2C19 P33261 2/20 0.51

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
SCHEMBL31455376 0.90 AKT1 (0.64) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455419 0.85 AKT1 (0.63) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31420269 0.84 AKT1 (0.66) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31420356 0.82 AKT1 (0.68) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455269 0.82 AKT1 (0.58) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL30826612 0.80 AKT1 (0.57) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL27226017 0.80 AKT1 (0.57) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL27225905 0.79 AKT1 (0.66) AKT1AKT2AKT3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL30815662 0.79 AKT1 (0.58) AKT1AKT2AKT3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL27226181 0.79 AKT1 (0.58) AKT1AKT2AKT3CYP3A4CYP2D6

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