SCHEMBL31455211

SCHEMBL31455211

Cc1nc(NCC2CCC(C(=O)O)CC2)ccc1-n1c(-c2cccnc2N)nc2ccc(-c3ccccc3)nc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.50
AKT2 P31751 13/20 0.50
AKT3 Q9Y243 13/20 0.50
CYP2C9 P11712 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C8 P10632 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
VCP P55072 2/20 0.45

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
SCHEMBL31455375 0.94 AKT1 (0.51) AKT1AKT2AKT3CYP2C9CYP1A2
SCHEMBL31455156 0.89 AKT1 (0.54) AKT1AKT2AKT3CYP2C9CYP1A2
SCHEMBL31455456 0.89 AKT1 (0.54) AKT1AKT2AKT3CYP2C9CYP1A2
SCHEMBL31455338 0.89 AKT1 (0.51) AKT1AKT2AKT3CYP2C9CYP1A2
SCHEMBL31455124 0.87 AKT1 (0.56) AKT1AKT2AKT3CYP2C9CYP1A2
SCHEMBL31455159 0.87 AKT1 (0.53) AKT1AKT2AKT3CYP2C9CYP1A2
SCHEMBL31455149 0.84 AKT1 (0.53) AKT1AKT2AKT3CYP2C9CYP1A2
SCHEMBL31455290 0.84 AKT1 (0.53) AKT1AKT2AKT3CYP2C9CYP1A2
SCHEMBL31455544 0.84 AKT1 (0.53) AKT1AKT2AKT3CYP2C9CYP1A2
SCHEMBL31455032 0.83 AKT1 (0.54) 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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed