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SCHEMBL31455347

SCHEMBL31455347

Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(N2CC3(CC(C(=O)O)C3)C2)nc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 20/20 0.58
▸ AKT2 P31751 12/20 0.55
▸ AKT3 Q9Y243 12/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ CYP2D6 P10635 4/20 0.55
▸ CYP2C9 P11712 4/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2C8 P10632 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55

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
SCHEMBL31455182 0.92 AKT1 (0.61) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455467 0.88 AKT1 (0.58) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455170 0.87 AKT1 (0.56) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455217 0.87 AKT1 (0.56) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455562 0.85 AKT1 (0.57) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455415 0.85 AKT1 (0.57) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455259 0.85 AKT1 (0.60) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455398 0.85 AKT1 (0.64) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455194 0.84 AKT1 (0.57) AKT1AKT2AKT3CYP3A4CYP2D6
SCHEMBL31455553 0.82 AKT1 (0.61) 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