SCHEMBL30758935

SCHEMBL30758935

CC(C)(C)OC(=O)CCCCc1c(Cl)cc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 1/20 0.34
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ HTR4 Q13639 2/20 0.31
▸ ATR Q13535 3/20 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
SCHEMBL30922452 0.92 RXRA (0.35) RXRARXRBRXRGDGAT2
SCHEMBL30923075 0.92 KRAS (0.34) KRASRXRARXRBRXRGUSP30
SCHEMBL30923128 0.91 RXRA (0.34) RXRARXRBRXRGDGAT2HTR4
SCHEMBL30922645 0.89 RXRA (0.39) RXRARXRBRXRGDGAT2
SCHEMBL30922742 0.86 RXRA (0.35) RXRARXRBRXRGDGAT2
SCHEMBL30922623 0.85 RXRA (0.31) KRASRXRARXRBRXRGDGAT2
SCHEMBL30759031 0.85 RXRA (0.36) KRASRXRARXRBRXRGDGAT2
SCHEMBL31691654 0.84 USP30 (0.38) KRASUSP30
SCHEMBL30922972 0.84 RXRA (0.31) KRASRXRARXRBRXRGDGAT2
SCHEMBL30922504 0.83 CYP4F2 (0.35) RXRARXRBRXRGHTR4

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-4573095-A1 PYRIDOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2025-06-25 — — EP disclosed
WO-2024040131-A1 PYRIDOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2024-02-22 — — WO disclosed
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