SCHEMBL28907108

SCHEMBL28907108

CC(C)c1ccccc1-n1c(=O)nc(N2CCN(C(=O)OC(C)(C)C)CC2C)c2cc(F)c(Cl)nc21

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.63

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
SCHEMBL30128086 1.00 KRAS (0.63) KRAS
SCHEMBL28907105 1.00 KRAS (0.63) KRAS
SCHEMBL21542651 0.93 KRAS (0.65) KRAS
SCHEMBL31745242 0.93 KRAS (0.65) KRAS
SCHEMBL21542653 0.93 KRAS (0.65) KRAS
SCHEMBL28382317 0.92 KRAS (0.60) KRAS
SCHEMBL26330108 0.92 KRAS (0.60) KRAS
SCHEMBL29551388 0.92 KRAS (0.60) KRAS
SCHEMBL21542965 0.90 KRAS (0.61) KRAS
SCHEMBL21542968 0.90 KRAS (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112159405-B Pyridopyrimidinone compounds and application thereof 广州必贝特医药技术有限公司 2021-09-14 CN disclosed
CN-112159405-A Pyridopyrimidinone compounds and application thereof 广州必贝特医药技术有限公司 2021-01-01 CN disclosed