SCHEMBL24387615

SCHEMBL24387615

CC(C)C[C@@H](Cc1cnn[nH]1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 4/20 0.38
▸ POLB P06746 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ REN P00797 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL13996127 0.76 AAK1 (0.42) AAK1POLBNPSR1TDP1REN
SCHEMBL13995754 0.74 REN (0.46) AAK1POLBNPSR1TDP1REN
SCHEMBL18248093 0.72 AAK1 (0.40) AAK1REN
SCHEMBL24323568 0.72 AAK1 (0.40) AAK1REN
SCHEMBL8196748 0.72 AAK1 (0.40) AAK1REN
SCHEMBL8079058 0.70 AAK1 (0.42) AAK1REN
SCHEMBL22316960 0.70 APLNR (0.31) —
SCHEMBL22315716 0.70 APLNR (0.31) —
SCHEMBL25177947 0.69 AAK1 (0.39) AAK1REN
SCHEMBL13999424 0.69 AAK1 (0.39) AAK1REN

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-2022093856-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-05-05 — — WO disclosed
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