SCHEMBL31455355

SCHEMBL31455355

Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.61
AKT2 P31751 11/20 0.61
AKT3 Q9Y243 11/20 0.61
CYP3A4 P08684 4/20 0.58
CYP2D6 P10635 4/20 0.58
CYP2C9 P11712 4/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C8 P10632 2/20 0.58
CYP2C19 P33261 2/20 0.58

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
SCHEMBL30802305 0.93 AKT1 (0.62) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455112 0.91 AKT1 (0.62) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455395 0.91 AKT1 (0.60) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455153 0.90 AKT1 (0.56) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455114 0.88 AKT1 (0.60) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455259 0.88 AKT1 (0.60) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455249 0.86 AKT1 (0.67) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455091 0.85 AKT1 (0.66) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455500 0.85 AKT1 (0.59) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455108 0.85 AKT1 (0.60) 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