SCHEMBL29679902

SCHEMBL29679902

CCc1cccc2cc3c(cnn3C3CCCCO3)c(OS(=O)(=O)C(F)(F)F)c12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
DRD2 P14416 4/20 0.33
DRD3 P35462 4/20 0.33
DRD4 P21917 3/20 0.33
DRD1 P21728 2/20 0.33
DRD5 P21918 2/20 0.33
PDE9A O76083 1/20 0.33
CYP4F2 P78329 5/20 0.33
CYP4A11 Q02928 5/20 0.33
KRAS P01116 3/20 0.32
HTR1D P28221 1/20 0.32
ATR Q13535 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
HTR5A P47898 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
SCHEMBL30707104 0.90 RXRA (0.37) RXRARXRBRXRGPDE9ACYP4F2
SCHEMBL30707250 0.86 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30706815 0.85 RXRA (0.40) RXRARXRBRXRGPDE9ACYP4F2
SCHEMBL30707110 0.80 RXRA (0.44) RXRARXRBRXRGDRD2DRD4
SCHEMBL31460338 0.79 PDE5A (0.32) RXRARXRBRXRGDRD2DRD3
SCHEMBL31348347 0.79 CYP4F2 (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31299364 0.77 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31459959 0.76 GAA (0.33) RXRARXRBRXRGDRD1CYP4F2
SCHEMBL24536533 0.75 RXRA (0.38) RXRARXRBRXRGPDE9ACYP4F2
SCHEMBL31348538 0.75 RXRA (0.36) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4540255-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2025-04-23 EP disclosed
CN-119677749-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2025-03-21 CN disclosed
WO-2023244615-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-12-21 WO disclosed
EP-4262807-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-10-25 EP disclosed
WO-2022132200-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 WO disclosed