SCHEMBL30002541

SCHEMBL30002541

Cc1ccnc(C(C)C)c1-n1c(=O)c([N+](=O)[O-])c(N2C[C@@H](C)N(C(=O)O)C[C@@H]2C(=O)O)c2cc(F)c(Cl)nc21

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.46

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
SCHEMBL28909101 1.00 KRAS (0.46) KRAS
SCHEMBL28909114 0.92 KRAS (0.43) KRAS
SCHEMBL30411909 0.92 KRAS (0.43) KRAS
SCHEMBL28909006 0.89 KRAS (0.48) KRAS
SCHEMBL30002196 0.89 KRAS (0.48) KRAS
SCHEMBL28678845 0.86 KRAS (0.52) KRAS
SCHEMBL30001905 0.86 KRAS (0.52) KRAS
SCHEMBL28692060 0.86 KRAS (0.41) KRAS
SCHEMBL29572849 0.85 KRAS (0.43) KRAS
SCHEMBL25829666 0.85 KRAS (0.43) 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-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