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SCHEMBL31455879

SCHEMBL31455879

Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2CN(C(=O)c3ccc(C(=O)O)cc3F)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 20/20 0.55
▸ AKT2 P31751 13/20 0.54
▸ AKT3 Q9Y243 13/20 0.54
▸ CYP2D6 P10635 5/20 0.53
▸ CYP2C9 P11712 5/20 0.53
▸ CYP3A4 P08684 4/20 0.53
▸ CYP2C8 P10632 3/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53

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
SCHEMBL31456023 0.93 AKT1 (0.57) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL31455698 0.93 AKT1 (0.57) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL31455881 0.90 AKT1 (0.61) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL31455757 0.89 AKT1 (0.59) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL31455689 0.89 AKT1 (0.62) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL31455597 0.88 AKT1 (0.58) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL31455878 0.86 AKT1 (0.59) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL31455745 0.86 AKT1 (0.59) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL31455681 0.83 AKT1 (0.62) AKT1AKT2AKT3CYP2D6CYP2C9
SCHEMBL31455825 0.83 AKT1 (0.62) AKT1AKT2AKT3CYP2D6CYP2C9

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-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 — — WO disclosed