Sugi Predict

Sugi Predict / Compounds / SCHEMBL31455287

SCHEMBL31455287

SCHEMBL31455287

NC(=O)C1CCC(CN2CC(c3ccc(-n4c(-c5cccnc5N)nc5ccc(-c6ccccc6)nc54)cc3)C2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 20/20 0.58
▸ AKT2 P31751 14/20 0.57
▸ AKT3 Q9Y243 14/20 0.57
▸ CYP2C9 P11712 6/20 0.54
▸ CYP3A4 P08684 4/20 0.54
▸ CYP2D6 P10635 4/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C8 P10632 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54

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
SCHEMBL31454985 0.95 AKT1 (0.58) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL31454981 0.95 AKT1 (0.58) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL31455140 0.93 AKT1 (0.57) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL31455024 0.93 AKT1 (0.57) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL31454980 0.91 AKT1 (0.58) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL31454976 0.91 AKT1 (0.58) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL31455482 0.90 AKT1 (0.56) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL31455374 0.90 AKT1 (0.56) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL31454987 0.90 AKT1 (0.56) AKT1AKT2AKT3CYP2C9CYP3A4
SCHEMBL31455440 0.90 AKT1 (0.56) 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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 — — WO disclosed