SCHEMBL29963239

SCHEMBL29963239

COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1c1c([N+](=O)[O-])c(=O)n(-c2c(C)ccnc2C(C)C)c2nc(-c3c(F)cccc3OC)c(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.50

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
SCHEMBL29828145 1.00 KRAS (0.50) KRAS
SCHEMBL30002547 0.95 KRAS (0.50) KRAS
SCHEMBL29827960 0.94 KRAS (0.47) KRAS
SCHEMBL28676690 0.93 KRAS (0.44) KRAS
SCHEMBL29828315 0.93 KRAS (0.44) KRAS
SCHEMBL31220148 0.92 KRAS (0.48) KRAS
SCHEMBL25829779 0.90 KRAS (0.42) KRAS
SCHEMBL29828426 0.90 KRAS (0.44) KRAS
SCHEMBL29828387 0.89 KRAS (0.41) KRAS
SCHEMBL30001905 0.89 KRAS (0.52) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116113416-B Tetracyclic derivative, preparation method and medical application thereof 浙江海正药业股份有限公司 2024-11-22 CN disclosed
CN-116848111-A KRAS inhibitor key intermediate and preparation method thereof 浙江海正药业股份有限公司 2023-10-03 CN disclosed
CN-116113416-A Tetracyclic derivative, preparation method and medical application thereof 浙江海正药业股份有限公司 2023-05-12 CN disclosed
CN-115124533-A Tetracyclic derivative, preparation method and medical application thereof 浙江海正药业股份有限公司 2022-09-30 CN disclosed
WO-2022198904-A1 KEY INTERMEDIATE OF KRAS INHIBITOR AND PREPARATION METHOD THEREFOR 浙江海正药业股份有限公司 2022-09-29 WO disclosed
WO-2022199170-A1 TETRACYCLIC DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 浙江海正药业股份有限公司 2022-09-29 WO disclosed