SCHEMBL31657929

SCHEMBL31657929

C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4c(F)cccc4OCP(=O)(O)O)c(Cl)cc23)CC1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.72
▸ EGFR P00533 1/20 0.72
▸ HMOX2 P30519 1/20 0.72
▸ CRYZ Q08257 1/20 0.72
▸ VAT1 Q99536 1/20 0.72
▸ RTN4 Q9NQC3 1/20 0.72

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
SCHEMBL18128666 1.00 KRAS (0.72) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128559 0.91 KRAS (0.70) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128605 0.91 KRAS (0.75) KRASEGFRHMOX2CRYZVAT1
SCHEMBL31658045 0.91 KRAS (0.75) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16636979 0.88 KRAS (0.78) KRASEGFRHMOX2CRYZVAT1
SCHEMBL23105132 0.86 KRAS (0.70) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128589 0.86 KRAS (0.66) KRASEGFRHMOX2CRYZVAT1
SCHEMBL23092291 0.85 KRAS (0.69) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21371148 0.85 KRAS (0.65) KRASEGFRHMOX2CRYZVAT1
SCHEMBL23093090 0.85 KRAS (0.69) 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
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