SCHEMBL29901337

SCHEMBL29901337

CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(-c4ccccc4F)c(Cl)cc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KRAS P01116 8/20 0.56
EGFR P00533 1/20 0.56
HMOX2 P30519 1/20 0.56
CRYZ Q08257 1/20 0.56
VAT1 Q99536 1/20 0.56
RTN4 Q9NQC3 1/20 0.56
KIT P10721 3/20 0.51
CNR1 P21554 2/20 0.51
CNR2 P34972 2/20 0.51
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
MAPT P10636 1/20 0.41
PDK2 Q15119 1/20 0.41
CXCR2 P25025 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
MAP4K4 O95819 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL29888689 1.00 KRAS (0.56) KRASEGFRHMOX2CRYZVAT1
SCHEMBL23415350 1.00 KRAS (0.56) KRASEGFRHMOX2CRYZVAT1
SCHEMBL17030855 0.90 KIT (0.52) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16647233 0.89 KIT (0.51) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16637040 0.86 KRAS (0.59) KRASEGFRHMOX2CRYZVAT1
SCHEMBL24161929 0.86 CNR1 (0.48) KRASEGFRHMOX2CRYZVAT1
SCHEMBL31658109 0.85 KRAS (0.59) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128441 0.85 KRAS (0.59) KRASEGFRHMOX2CRYZVAT1
SCHEMBL23415335 0.84 CNR1 (0.54) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29901341 0.84 CNR1 (0.54) 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
EP-4065231-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-10-05 EP disclosed