SCHEMBL22720273

SCHEMBL22720273

CN1CCC[C@H]1COc1nc2c(c(N3CCN(C(=O)OC(C)(C)C)CC3)n1)CCC2

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.52

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
SCHEMBL22724649 1.00 KRAS (0.52) KRAS
SCHEMBL21722155 0.98 KRAS (0.52) KRAS
SCHEMBL23074870 0.91 KRAS (0.49) KRAS
SCHEMBL23075010 0.90 KRAS (0.48) KRAS
SCHEMBL21005701 0.89 KRAS (0.49) KRAS
SCHEMBL24276537 0.89 KRAS (0.49) KRAS
SCHEMBL29697527 0.89 KRAS (0.49) KRAS
SCHEMBL19617098 0.89 KRAS (0.49) KRAS
SCHEMBL28692005 0.88 KRAS (0.55) KRAS
SCHEMBL28692003 0.88 KRAS (0.55) 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
WO-2020239123-A1 AROMATIC HETEROCYCLIC DERIVATIVE MODULATOR AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-03 WO disclosed