SCHEMBL28664244

SCHEMBL28664244

Cc1cc2c(cc1Br)OC[C@H]1CN(C(=O)O)CCN1C2=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KRAS P01116 7/20 0.37
AXL P30530 2/20 0.34
DPP4 P27487 1/20 0.32
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
TIPARP Q7Z3E1 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
SCHEMBL28656529 0.87 DPP4 (0.37) KRASAXLDPP4TIPARP
SCHEMBL23496870 0.86 KRAS (0.35) KRASAXLDPP4TIPARP
SCHEMBL23496692 0.86 KRAS (0.35) KRASAXLDPP4TIPARP
SCHEMBL24558288 0.85 LMNA (0.40) KRAS
SCHEMBL28676516 0.79 KRAS (0.43) KRASDPP4
SCHEMBL26129936 0.76 GRIA1 (0.34) KRASTIPARP
SCHEMBL26108338 0.76 GRIA1 (0.34) KRASTIPARP
SCHEMBL28671313 0.76 KRAS (0.37) KRASDPP4
SCHEMBL23496849 0.76 KRAS (0.34) KRASTIPARP
SCHEMBL23496837 0.76 KRAS (0.34) KRASTIPARP

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