SCHEMBL30305233

SCHEMBL30305233

Cc1ccc2c(cnn2C2CCCCO2)c1C1CCCc2c(nc(OC[C@@H]3CCCN3C)nc2N2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KRAS P01116 19/20 0.49
TP53 P04637 1/20 0.35

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
SCHEMBL25298890 1.00 KRAS (0.49) KRASTP53
SCHEMBL25298889 1.00 KRAS (0.49) KRASTP53
SCHEMBL21722422 0.91 KRAS (0.60) KRAS
SCHEMBL19617319 0.88 KRAS (0.57) KRAS
SCHEMBL24276538 0.88 KRAS (0.57) KRAS
SCHEMBL30189069 0.88 KRAS (0.57) KRAS
SCHEMBL21243863 0.88 KRAS (0.38) KRASTP53
SCHEMBL25248755 0.84 MAPT (0.36) KRASTP53
SCHEMBL30305242 0.84 MAPT (0.36) KRASTP53
SCHEMBL19617125 0.84 KRAS (0.49) 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-115836072-A Inhibitors of KRAS G12C protein and uses thereof 上海德琪医药科技有限公司 2023-03-21 CN disclosed