SCHEMBL30922415

SCHEMBL30922415

CCOC(=O)COCC#Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ PPOX P50336 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ DGAT2 Q96PD7 1/20 0.30
▸ POLB P06746 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
SCHEMBL30922587 0.93 RXRA (0.36) P2RY12RXRARXRBRXRGCYP4F2
SCHEMBL30922381 0.83 RXRA (0.36) P2RY12RXRARXRBRXRGCYP4F2
SCHEMBL30922657 0.83 RXRA (0.36) P2RY12RXRARXRBRXRGCYP4F2
SCHEMBL30922479 0.82 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922595 0.82 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922921 0.81 RXRA (0.33) RXRARXRBRXRG
SCHEMBL30758956 0.80 RXRA (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959110 0.78 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922988 0.76 RXRA (0.37) P2RY12RXRARXRBRXRGCYP4F2
SCHEMBL31127858 0.74 RXRA (0.41) P2RY12RXRARXRBRXRGCYP4F2

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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