SCHEMBL29080101

SCHEMBL29080101

CC(C)(C)OC(=O)Nc1nn2c(c1I)CN(C(=O)O)CCC2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OGFRL1 Q5TC84 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ DRD2 P14416 3/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 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
SCHEMBL24535899 0.91 MAPT (0.37) MAPT
SCHEMBL24535900 0.78 MEN1 (0.39) MAPT
SCHEMBL30793888 0.77 MAPT (0.37) MAPT
SCHEMBL25334805 0.77 MEN1 (0.40) MAPT
SCHEMBL30793812 0.75 F13A1 (0.36) MAPT
SCHEMBL25335700 0.71 NR1H2 (0.42) MAPT
SCHEMBL30793679 0.68 RAB9A (0.33) —
SCHEMBL24535159 0.68 MEN1 (0.36) MAPT
SCHEMBL30793521 0.67 MEN1 (0.35) MAPTBACE1
SCHEMBL30793765 0.67 ADORA1 (0.42) MAPT

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
CN-116829151-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2023-09-29 — — CN disclosed
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