SCHEMBL31460244

SCHEMBL31460244

O=C1NC(=O)C2CNCC1C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 9/20 0.42
CHRNA3 P32297 9/20 0.42
CHRNB2 P17787 14/20 0.39
CHRNA4 P43681 14/20 0.39
CHRNA1 P02708 2/20 0.35
CHRNG P07510 2/20 0.35
CHRNB1 P11230 2/20 0.35
CHRND Q07001 2/20 0.35
ESR1 P03372 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA7 P36544 1/20 0.35
HTR3A P46098 1/20 0.35
CHRNA2 Q15822 1/20 0.35

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
SCHEMBL31460270 1.00 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL20827756 0.82 MAP3K14 (0.33)
SCHEMBL5390017 0.82
SCHEMBL2484399 0.77 DAO (0.32)
SCHEMBL27115171 0.77
SCHEMBL10351130 0.72 DAO (0.32)
SCHEMBL1748458 0.71 HTR2A (0.32)
SCHEMBL1748796 0.71 HTR2A (0.32)
SCHEMBL4248559 0.69 CHRNB4 (0.38) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL5386313 0.69 DAO (0.35)

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-119677749-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2025-03-21 CN disclosed