SCHEMBL31442170

SCHEMBL31442170

COC(=O)c1cnc(Cl)c(F)c1NC(=O)NC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 2/20 0.33
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ATF1 P18846 1/20 0.30
NFKB1 P19838 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
SCHEMBL29418903 0.90 KDM4E (0.39) ALDH1A1KDM4EMAPTGAA
SCHEMBL22208142 0.90 KDM4E (0.39) ALDH1A1KDM4EMAPTGAA
SCHEMBL30664848 0.88 ATR (0.38) ATRALDH1A1KDM4ENPC1MAPK1
SCHEMBL26656273 0.88 ATR (0.38) ATRALDH1A1KDM4ENPC1MAPK1
SCHEMBL31497664 0.86 KEAP1 (0.32) ALDH1A1KDM4EGAA
SCHEMBL23043008 0.78 NPC1 (0.37) ALDH1A1KDM4ENPC1MAPK1PDK1
SCHEMBL29921963 0.78 NPC1 (0.37) ALDH1A1KDM4ENPC1MAPK1PDK1
SCHEMBL29680555 0.78 ATR (0.62) ATRMAPTPDK1PDK2PDK3
SCHEMBL23043021 0.78 ATR (0.62) ATRMAPTPDK1PDK2PDK3
SCHEMBL31534296 0.78 TSHR (0.31) MAPK1

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
WO-2025053850-A1 COVALENT KRAS-BINDING COMPOUNDS FOR MEDICAL TREATMENT HYKU BIOSCIENCES INC. (US) 2025-03-13 WO disclosed