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SCHEMBL31455878

SCHEMBL31455878

Cc1c(C(=O)O)cccc1C(=O)N1CC(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 20/20 0.59
▸ AKT2 P31751 16/20 0.58
▸ AKT3 Q9Y243 16/20 0.58
▸ CYP2C9 P11712 7/20 0.57
▸ CYP2D6 P10635 5/20 0.57
▸ CYP2C8 P10632 4/20 0.57
▸ CYP3A4 P08684 3/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57

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
SCHEMBL31455689 0.94 AKT1 (0.62) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL31455597 0.92 AKT1 (0.58) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL31455681 0.90 AKT1 (0.62) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL31456023 0.89 AKT1 (0.57) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL31455881 0.88 AKT1 (0.61) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL31455779 0.88 AKT1 (0.59) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL31455757 0.88 AKT1 (0.59) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL31455879 0.86 AKT1 (0.55) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL31455825 0.85 AKT1 (0.62) AKT1AKT2AKT3CYP2C9CYP2D6
SCHEMBL31455700 0.84 AKT1 (0.56) 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-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 — — WO disclosed