SCHEMBL28654658

SCHEMBL28654658

O=C(O)N1CCN2C(=O)c3ccc(Br)c(F)c3OC[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KRAS P01116 11/20 0.40
DPP4 P27487 1/20 0.34

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
SCHEMBL28676516 0.87 KRAS (0.43) KRASDPP4
SCHEMBL28650738 0.87 KRAS (0.47) KRASDPP4
SCHEMBL23496652 0.87 KRAS (0.47) KRASDPP4
SCHEMBL24558269 0.85 KRAS (0.40) KRAS
SCHEMBL28658815 0.84 KRAS (0.41) KRASDPP4
SCHEMBL28929459 0.83 KRAS (0.44) KRASDPP4
SCHEMBL28668923 0.82 KRAS (0.37) KRASDPP4
SCHEMBL28671505 0.82 KRAS (0.40) KRASDPP4
SCHEMBL28651201 0.82 KRAS (0.45) KRASDPP4
SCHEMBL28656529 0.80 DPP4 (0.37) KRASDPP4

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-113508118-A Fused tricyclic compounds useful as anticancer agents 阿斯利康(瑞典)有限公司 2021-10-15 CN disclosed