SCHEMBL23409336

SCHEMBL23409336

CN(C)CC1(COc2nc(N3CC4CCC(C3)N4C(=O)O)c3cc(Cl)c(-c4cc(O)cc5ccccc45)c(F)c3n2)CC1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.68

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
SCHEMBL23413411 0.93 KRAS (0.78) KRAS
SCHEMBL29903121 0.92 KRAS (0.65) KRAS
SCHEMBL23409291 0.92 KRAS (0.65) KRAS
SCHEMBL23413711 0.90 KRAS (0.64) KRAS
SCHEMBL29595093 0.88 KRAS (0.87) KRAS
SCHEMBL26964838 0.88 KRAS (0.87) KRAS
SCHEMBL23409267 0.88 KRAS (0.87) KRAS
SCHEMBL26623690 0.86 KRAS (0.74) KRAS
SCHEMBL29344952 0.85 KRAS (0.72) KRAS
SCHEMBL30998522 0.85 KRAS (0.60) 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
WO-2021106231-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-03 — — WO disclosed
WO-2021107160-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-03 — — WO disclosed
Send feedback