SCHEMBL31226401

SCHEMBL31226401

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

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.47

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
SCHEMBL26321733 0.94 KRAS (0.46) KRAS
SCHEMBL29572338 0.94 KRAS (0.46) KRAS
SCHEMBL28909006 0.91 KRAS (0.48) KRAS
SCHEMBL30002196 0.91 KRAS (0.48) KRAS
SCHEMBL28909114 0.90 KRAS (0.43) KRAS
SCHEMBL30411909 0.90 KRAS (0.43) KRAS
SCHEMBL29573345 0.88 KRAS (0.42) KRAS
SCHEMBL30582086 0.85 KRAS (0.51) KRAS
SCHEMBL25829666 0.84 KRAS (0.43) KRAS
SCHEMBL29963150 0.84 KRAS (0.45) 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-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