SCHEMBL28651226

SCHEMBL28651226

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

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KRAS P01116 18/20 0.48
RIPK1 Q13546 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
SCHEMBL28656532 0.89 KRAS (0.54) KRASRIPK1
SCHEMBL28664304 0.87 KRAS (0.54) KRAS
SCHEMBL28651239 0.87 KRAS (0.47) KRAS
SCHEMBL24558209 0.85 KRAS (0.44) KRAS
SCHEMBL29693116 0.85 KRAS (0.44) KRAS
SCHEMBL23496696 0.85 KRAS (0.54) KRAS
SCHEMBL23496641 0.85 KRAS (0.54) KRAS
SCHEMBL28658835 0.85 KRAS (0.48) KRASRIPK1
SCHEMBL28671533 0.82 KRAS (0.53) KRASRIPK1
SCHEMBL28676533 0.81 KRAS (0.44) KRAS

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