SCHEMBL30758953

SCHEMBL30758953

CCOC(=O)CCCCc1ccc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ CYP4F2 P78329 2/20 0.38
▸ CYP4A11 Q02928 2/20 0.38
▸ MGLL Q99685 1/20 0.36
▸ TBXAS1 P24557 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTR4 Q13639 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ CNR2 P34972 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
SCHEMBL25917431 0.87 CYP4F2 (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922691 0.79 CYP4F2 (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922724 0.78 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31750142 0.77 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL19637212 0.75 CYP4F2 (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL14816253 0.75 RXRA (0.58) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922657 0.75 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922504 0.75 CYP4F2 (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL786099 0.74 RXRA (0.45) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922888 0.74 RXRA (0.35) 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-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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