SCHEMBL23093035

SCHEMBL23093035

COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C=CC=O)CC3)ncnc2c1F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KRAS P01116 7/20 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 6/20 0.40
SLC2A1 P11166 3/20 0.40
SLC2A2 P11168 3/20 0.40
SLC2A3 P11169 2/20 0.40
LRRK2 Q5S007 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL23093007 0.87 KRAS (0.50) KRASEGFRHMOX2CRYZVAT1
SCHEMBL22345894 0.87 KRAS (0.71) KRASEGFRHMOX2CRYZVAT1
SCHEMBL23092292 0.86 KRAS (0.49) KRASEGFRHMOX2CRYZVAT1
SCHEMBL17633422 0.83 KRAS (0.54) KRASEGFRHMOX2CRYZVAT1
SCHEMBL19681380 0.83 KRAS (0.63) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16636979 0.83 KRAS (0.78) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16636995 0.83 KRAS (0.53) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16637040 0.80 KRAS (0.59) KRASEGFRHMOX2CRYZVAT1
SCHEMBL22631405 0.79 KRAS (0.73) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128364 0.78 KRAS (0.47) 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