SCHEMBL30922447

SCHEMBL30922447

C=CCc1c(C)cc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ CYP4F2 P78329 2/20 0.39
▸ CYP4A11 Q02928 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PDE1A P54750 4/20 0.33
▸ PDE1B Q01064 4/20 0.33
▸ PDE1C Q14123 4/20 0.33
▸ ATR Q13535 1/20 0.33
▸ EZH2 Q15910 2/20 0.32
▸ PDE9A O76083 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ RET P07949 2/20 0.31

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
SCHEMBL30922838 0.90 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31041020 0.87 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922422 0.84 CYP4F2 (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29344300 0.84 CYP4F2 (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31041000 0.83 CYP4F2 (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959674 0.83 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31526972 0.83 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21195793 0.83 CYP4F2 (0.45) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922621 0.82 CYP4F2 (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922698 0.82 CYP4F2 (0.40) RXRARXRBRXRGCYP4F2CYP4A11

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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