SCHEMBL31107227

SCHEMBL31107227

COc1cccc(C)c1-c1c(F)cc2c(c1C#C[Si](C)(C)C)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KRAS P01116 18/20 0.49
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33

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
SCHEMBL24558280 1.00 KRAS (0.49) KRASCCNT1CDK9
SCHEMBL31107220 0.92 KRAS (0.45) KRAS
SCHEMBL29693204 0.92 KRAS (0.45) KRAS
SCHEMBL24558268 0.92 KRAS (0.45) KRAS
SCHEMBL24558273 0.91 KRAS (0.49) KRASCCNT1CDK9
SCHEMBL28664280 0.91 KRAS (0.52) KRAS
SCHEMBL24558440 0.89 KRAS (0.61) KRASCCNT1CDK9
SCHEMBL31107247 0.89 KRAS (0.61) KRASCCNT1CDK9
SCHEMBL24558270 0.83 KRAS (0.45) KRAS
SCHEMBL24558262 0.82 KRAS (0.54) 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-113508118-B Fused tricyclic compounds useful as anticancer agents 阿斯利康(瑞典)有限公司 2024-07-19 CN disclosed