SCHEMBL23105086

SCHEMBL23105086

CCC(=O)N1CCN(c2ncnc3c(F)c(-c4c(F)cccc4OCCCCCCCNC=O)c(Cl)cc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 8/20 0.54
▸ EGFR P00533 1/20 0.54
▸ HMOX2 P30519 1/20 0.54
▸ CRYZ Q08257 1/20 0.54
▸ VAT1 Q99536 1/20 0.54
▸ RTN4 Q9NQC3 1/20 0.54
▸ PDGFRB P09619 9/20 0.37
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GALR2 O43603 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL23092614 0.93 KRAS (0.56) KRASEGFRHMOX2CRYZVAT1
SCHEMBL23105207 0.86 KRAS (0.50) KRASEGFRHMOX2CRYZVAT1
SCHEMBL23105091 0.86 KRAS (0.50) KRASEGFRHMOX2CRYZVAT1
SCHEMBL24851564 0.85 KRAS (0.48) KRASEGFRHMOX2CRYZVAT1
SCHEMBL23092322 0.84 KRAS (0.58) KRASEGFRHMOX2CRYZVAT1
SCHEMBL23092294 0.84 KRAS (0.54) KRASEGFRHMOX2CRYZVAT1
SCHEMBL23105132 0.84 KRAS (0.70) KRASEGFRHMOX2CRYZVAT1
SCHEMBL23092305 0.83 KRAS (0.67) KRASEGFRHMOX2CRYZVAT1
SCHEMBL23092309 0.82 KRAS (0.54) KRASEGFRHMOX2CRYZVAT1
SCHEMBL19296791 0.81 KRAS (0.76) KRASEGFRHMOX2CRYZVAT1

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-2021051034-A1 RAS PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2021-03-18 — — WO disclosed
Send feedback