SCHEMBL30802485

SCHEMBL30802485

CC1CN(Cc2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CC(C)N1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.65
AKT2 P31751 16/20 0.65
AKT3 Q9Y243 16/20 0.65
CYP2C9 P11712 4/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C8 P10632 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 2/20 0.56

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
SCHEMBL27226330 1.00 AKT1 (0.65) AKT1AKT2AKT3CYP2C9CYP1A2
SCHEMBL27227578 1.00 AKT1 (0.65) AKT1AKT2AKT3CYP2C9CYP1A2
SCHEMBL27226250 1.00 AKT1 (0.65) AKT1AKT2AKT3CYP2C9CYP1A2
SCHEMBL27386124 0.92 AKT1 (0.60) AKT1AKT2AKT3CYP2C9CYP1A2
SCHEMBL27386513 0.92 AKT1 (0.60) AKT1AKT2AKT3CYP2C9CYP1A2
SCHEMBL27386118 0.92 AKT1 (0.60) AKT1AKT2AKT3CYP2C9CYP1A2
SCHEMBL30802433 0.91 AKT1 (0.59) AKT1AKT2AKT3CYP2C9CYP1A2
SCHEMBL29324559 0.91 AKT1 (0.59) AKT1AKT2AKT3CYP2C9CYP1A2
SCHEMBL30874482 0.91 AKT1 (0.59) AKT1AKT2AKT3CYP2C9CYP1A2
SCHEMBL30815565 0.91 AKT1 (0.59) AKT1AKT2AKT3CYP2C9CYP1A2

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-2024054512-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-03-14 WO disclosed