SCHEMBL30922541

SCHEMBL30922541

Clc1cc2c(cnn2C2CCCCO2)c(Br)c1/C=C\c1cn[nH]c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 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
SCHEMBL31642671 0.85 RXRA (0.38) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL25373206 0.83 RXRA (0.37) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL30542408 0.83 RXRA (0.37) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL25373201 0.83 RXRA (0.37) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL30922407 0.82 ALDH1A1 (0.39) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31127808 0.81 RXRA (0.38) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL30922527 0.81 RXRA (0.39) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31642907 0.81 RXRA (0.37) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31040992 0.79 RXRA (0.34) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31691671 0.78 RXRA (0.36) RXRARXRBRXRG

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
Send feedback