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Sugi Predict / Compounds / SCHEMBL30922905

SCHEMBL30922905

SCHEMBL30922905

Cc1cc2c(cnn2[C@H]2CCCCO2)c(Br)c1[C@@H]1C[C@@H]1CCOS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 1/20 0.38
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33

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
SCHEMBL30922895 0.91 KRAS (0.35) KRASRXRARXRBRXRG
SCHEMBL31691662 0.86 CYP4F2 (0.38) KRASRXRARXRBRXRGCYP4F2
SCHEMBL30922887 0.86 CYP4F2 (0.38) KRASRXRARXRBRXRGCYP4F2
SCHEMBL30922696 0.84 RXRA (0.41) KRASRXRARXRBRXRGCYP4F2
SCHEMBL30922931 0.84 RXRA (0.41) KRASRXRARXRBRXRGCYP4F2
SCHEMBL30922763 0.82 CYP4F2 (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31642909 0.82 KRAS (0.33) KRASRXRARXRBRXRG
SCHEMBL31642647 0.82 KRAS (0.33) KRASRXRARXRBRXRG
SCHEMBL31041001 0.81 KRAS (0.38) KRASRXRARXRBRXRGCYP4F2
SCHEMBL25375066 0.80 CYP4F2 (0.40) KRASRXRARXRBRXRGCYP4F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4598921-A1 MACROCYCLIC KRAS INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2025-08-13 — — EP disclosed
WO-2024107686-A1 MACROCYCLIC KRAS INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2024-05-23 — — WO disclosed
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