SCHEMBL31658024

SCHEMBL31658024

C=CC(=O)N1[C@H](C)CN(c2ncnc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)C[C@@H]1C

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.74
EGFR P00533 1/20 0.74
HMOX2 P30519 1/20 0.74
CRYZ Q08257 1/20 0.74
VAT1 Q99536 1/20 0.74
RTN4 Q9NQC3 1/20 0.74
RPS6KA1 Q15418 1/20 0.52

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
SCHEMBL18128640 1.00 KRAS (0.74) KRASEGFRHMOX2CRYZVAT1
SCHEMBL31658053 1.00 KRAS (0.74) KRASEGFRHMOX2CRYZVAT1
SCHEMBL31658071 1.00 KRAS (0.74) KRASEGFRHMOX2CRYZVAT1
SCHEMBL31658032 1.00 KRAS (0.74) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128569 1.00 KRAS (0.74) KRASEGFRHMOX2CRYZVAT1
SCHEMBL31658023 1.00 KRAS (0.74) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128361 1.00 KRAS (0.74) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128496 1.00 KRAS (0.74) KRASEGFRHMOX2CRYZVAT1
SCHEMBL19084529 0.90 KRAS (0.74) KRASEGFRHMOX2CRYZVAT1
SCHEMBL19099094 0.90 KRAS (0.63) 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