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SCHEMBL31455136

SCHEMBL31455136

COC(=O)C1CCC(C(=O)Nc2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccc(F)cc5)nc43)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 20/20 0.56
▸ AKT2 P31751 14/20 0.52
▸ AKT3 Q9Y243 14/20 0.52
▸ CYP2C9 P11712 8/20 0.47
▸ CYP2D6 P10635 6/20 0.47
▸ CYP2C8 P10632 4/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46

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
SCHEMBL31455522 0.94 AKT1 (0.61) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL31455317 0.94 AKT1 (0.61) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL31455306 0.92 AKT1 (0.57) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL31455015 0.90 AKT1 (0.59) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL31455057 0.87 AKT1 (0.59) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL31455513 0.87 AKT1 (0.59) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL31455163 0.86 AKT1 (0.52) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL31455237 0.86 AKT1 (0.61) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL31455307 0.86 AKT1 (0.62) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL31455174 0.85 AKT1 (0.52) AKT1AKT2AKT3CYP2C9CYP2D6

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