SCHEMBL31380781

SCHEMBL31380781

F[C@H]1CN2CCC[C@@]2(COc2ncc3[nH]cnc3n2)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
SCHEMBL31733170 0.83 KRAS (0.45) KRAS
SCHEMBL31380914 0.82 KRAS (0.44) KRAS
SCHEMBL31380696 0.80 KRAS (0.42) KRAS
SCHEMBL29936938 0.77 KRAS (0.47) KRAS
SCHEMBL30391087 0.75 KRAS (0.47) KRAS
SCHEMBL29936919 0.75 KRAS (0.46) KRAS
SCHEMBL29679980 0.75 KRAS (0.47) KRAS
SCHEMBL30391045 0.75 KRAS (0.47) KRAS
SCHEMBL30391732 0.75 KRAS (0.47) KRAS
SCHEMBL31340154 0.74 KRAS (0.48) 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
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