SCHEMBL31029499

SCHEMBL31029499

Cc1cc(F)c2c(cnn2C2CCCCO2)c1-c1ncc2c(OCC(F)(F)F)nc(OC[C@@]34CCCN3C[C@H](F)C4)nc2c1F

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
SCHEMBL29680342 0.90 KRAS (0.52) KRAS
SCHEMBL30922455 0.89 KRAS (0.57) KRAS
SCHEMBL30922417 0.87 KRAS (0.47) KRAS
SCHEMBL30706701 0.86 KRAS (0.53) KRAS
SCHEMBL30706877 0.85 KRAS (0.56) KRAS
SCHEMBL30922670 0.85 KRAS (0.45) KRAS
SCHEMBL25337110 0.85 KRAS (0.46) KRAS
SCHEMBL30706923 0.84 KRAS (0.57) KRAS
SCHEMBL30922823 0.84 KRAS (0.45) KRAS
SCHEMBL31029389 0.84 KRAS (0.58) 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-2024138206-A1 FLUOROPYRIDOPYRIMIDINE AND FLUOROQUINAZOLINE DERIVATIES AND METHODS OF USE THEREOF FRONTIER MEDICINES CORPORATION (US) 2024-06-27 WO disclosed