SCHEMBL30802412

SCHEMBL30802412

CNC1CCN(C(C)c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.59
AKT2 P31751 15/20 0.59
AKT3 Q9Y243 15/20 0.59
CYP2C9 P11712 5/20 0.57
CYP3A4 P08684 4/20 0.57
CYP2D6 P10635 4/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C8 P10632 2/20 0.57
CYP2C19 P33261 2/20 0.57

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
SCHEMBL31455151 0.88 AKT1 (0.59) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL31455050 0.87 AKT1 (0.60) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL31455000 0.85 AKT1 (0.58) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL27226168 0.85 AKT1 (0.67) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL30802355 0.85 AKT1 (0.67) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL31455089 0.84 AKT1 (0.59) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL31455736 0.84 AKT1 (0.55) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL31455833 0.83 AKT1 (0.56) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL30802360 0.83 AKT1 (0.74) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL31455143 0.82 AKT1 (0.58) AKT1AKT2AKT3CYP2C9CYP3A4

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