SCHEMBL30758956

SCHEMBL30758956

CC(C)(C)OC(=O)CCC#Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ KRAS P01116 1/20 0.33
▸ ATR Q13535 3/20 0.31
▸ DGAT2 Q96PD7 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ CYP4F2 P78329 1/20 0.30
▸ CYP4A11 Q02928 1/20 0.30

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
SCHEMBL30922479 0.92 RXRA (0.37) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30922595 0.82 RXRA (0.39) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30759031 0.82 RXRA (0.36) RXRARXRBRXRGKRASATR
SCHEMBL30922587 0.82 RXRA (0.36) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30922921 0.81 RXRA (0.33) RXRARXRBRXRG
SCHEMBL30922415 0.80 P2RY12 (0.35) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30959110 0.78 RXRA (0.38) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30922643 0.78 KRAS (0.36) RXRARXRBRXRGKRASATR
SCHEMBL21196028 0.76 RXRA (0.41) RXRARXRBRXRGATRDGAT2
SCHEMBL29804208 0.76 RXRA (0.41) RXRARXRBRXRGATRDGAT2

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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