SCHEMBL31658077

SCHEMBL31658077

C=CC(=O)N1CCCN(c2ncnc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1

nearest known ligand 0.93

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.93
EGFR P00533 1/20 0.93
HMOX2 P30519 1/20 0.93
CRYZ Q08257 1/20 0.93
VAT1 Q99536 1/20 0.93
RTN4 Q9NQC3 1/20 0.93

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
SCHEMBL18128690 1.00 KRAS (0.93) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29373530 0.97 KRAS (1.00) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16637284 0.97 KRAS (1.00) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29379971 0.97 KRAS (1.00) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16647182 0.90 KRAS (0.88) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29765662 0.90 KRAS (0.88) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29766035 0.89 KRAS (0.84) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16646915 0.89 KRAS (0.84) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18842314 0.88 KRAS (0.83) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21471922 0.87 KRAS (0.82) 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
US-RE50490-E1 Substituted quinazoline compounds and methods of use thereof ARAXES PHARMA LLC (US) 2025-07-15 US disclosed