SCHEMBL30696124

SCHEMBL30696124

C=C1CN2CC3(CC3)CC2(COc2nc(N3C[C@H]4CC[C@@H](C3)N4C(=O)O)c3cnc(-c4cc(OCOC)cc5cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c45)c(F)c3n2)C1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.46

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
SCHEMBL27158418 1.00 KRAS (0.46) KRAS
SCHEMBL30734063 0.95 KRAS (0.44) KRAS
SCHEMBL27159391 0.94 KRAS (0.48) KRAS
SCHEMBL27159130 0.93 KRAS (0.51) KRAS
SCHEMBL30185959 0.92 KRAS (0.54) KRAS
SCHEMBL27158855 0.92 KRAS (0.54) KRAS
SCHEMBL27159223 0.92 KRAS (0.55) KRAS
SCHEMBL27158884 0.91 KRAS (0.47) KRAS
SCHEMBL27158898 0.91 KRAS (0.46) KRAS
SCHEMBL27159085 0.91 KRAS (0.46) 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-117222650-A Pyridine or pyrimido-ring compound, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2023-12-12 CN disclosed