SCHEMBL31380786

SCHEMBL31380786

F[C@H]1CN2CCC[C@@]2(COc2nc(OCc3ccccc3)c3c(ncn3C3CCC3)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.42

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
SCHEMBL31380851 0.86 KRAS (0.40) KRAS
SCHEMBL31380750 0.86 KRAS (0.40) KRAS
SCHEMBL31380773 0.80 KRAS (0.39) KRAS
SCHEMBL31380729 0.77 KRAS (0.42) KRAS
SCHEMBL31380764 0.76 KRAS (0.40) KRAS
SCHEMBL25376251 0.76 KRAS (0.50) KRAS
SCHEMBL30404748 0.75 KRAS (0.42) KRAS
SCHEMBL25177398 0.75 KRAS (0.42) KRAS
SCHEMBL25040543 0.75 KRAS (0.55) KRAS
SCHEMBL30134562 0.75 KRAS (0.55) 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-2025026903-A1 IMIDAZO PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2025-02-06 — — WO disclosed
Send feedback