SCHEMBL28928617

SCHEMBL28928617

O=C(O)N1CCN2Cc3cc(OC(F)F)c(Br)c(Cl)c3OC[C@H]2C1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KRAS P01116 18/20 0.55
MGLL Q99685 2/20 0.37

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
SCHEMBL24558374 0.88 KRAS (0.51) KRASMGLL
SCHEMBL28664304 0.84 KRAS (0.54) KRAS
SCHEMBL28655791 0.83 KRAS (0.75) KRASMGLL
SCHEMBL28669312 0.83 KRAS (0.46) KRAS
SCHEMBL28655475 0.82 KRAS (0.48) KRAS
SCHEMBL28664638 0.81 KRAS (0.47) KRAS
SCHEMBL26686686 0.81 KRAS (0.45) KRAS
SCHEMBL28674439 0.80 KRAS (0.40) KRASMGLL
SCHEMBL28651229 0.80 KRAS (0.56) KRAS
SCHEMBL28671279 0.80 KRAS (0.55) KRASMGLL

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