SCHEMBL31460045

SCHEMBL31460045

Fc1c(Cl)ncc2c(N3CCCC4(CC(OC5CCCCO5)C4)C3)ncnc12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KRAS P01116 2/20 0.30
GLA P06280 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
SCHEMBL30707074 0.89 KRAS (0.34) KRAS
SCHEMBL30706707 0.85 CCNC (0.32) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL30706928 0.79 KRAS (0.46) KRAS
SCHEMBL30707008 0.77 KRAS (0.51) KRAS
SCHEMBL31460204 0.74 KRAS (0.44) KRAS
SCHEMBL34461950 0.74 FFAR2 (0.41) KDM4EALDH1A1LMNANPSR1MAPT
SCHEMBL24536169 0.73 KRAS (0.33) KRAS
SCHEMBL24536186 0.73 KRAS (0.33) KRAS
SCHEMBL30707499 0.72 KRAS (0.56) KRAS
SCHEMBL30600136 0.70 MAPT (0.48) KDM4EALDH1A1LMNANPSR1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119677749-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2025-03-21 CN disclosed