SCHEMBL24755172

SCHEMBL24755172

Fc1cc2c(N3CC4CCC(C3)N4)nc(OC[C@@]34CCCN3C[C@H](F)C4)nc2c(F)c1Br

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.67

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
SCHEMBL26062727 0.92 KRAS (0.71) KRAS
SCHEMBL24699085 0.92 KRAS (0.71) KRAS
SCHEMBL24756974 0.92 KRAS (0.68) KRAS
SCHEMBL29344535 0.90 KRAS (0.55) KRAS
SCHEMBL30922970 0.89 KRAS (0.53) KRAS
SCHEMBL24755150 0.89 KRAS (0.70) KRAS
SCHEMBL30539000 0.86 KRAS (0.54) KRAS
SCHEMBL25336609 0.86 KRAS (0.54) KRAS
SCHEMBL25336499 0.86 KRAS (0.54) KRAS
SCHEMBL23054156 0.85 KRAS (0.77) 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-2022262686-A1 KRAS G12D INHIBITORS JINGRUI BIOPHARMA CO., LTD. (CN) 2022-12-22 — — WO disclosed
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