SCHEMBL31658013

SCHEMBL31658013

COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)nc(CN)nc2c1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.43
TLR7 Q9NYK1 2/20 0.43
CXCR2 P25025 1/20 0.43
KRAS P01116 3/20 0.43
EGFR P00533 1/20 0.43
HMOX2 P30519 1/20 0.43
CRYZ Q08257 1/20 0.43
VAT1 Q99536 1/20 0.43
RTN4 Q9NQC3 1/20 0.43
SUV39H2 Q9H5I1 7/20 0.42
PDE4B Q07343 1/20 0.39
PDE11A Q9HCR9 1/20 0.39
PDE10A Q9Y233 1/20 0.39
ALK Q9UM73 3/20 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
SCHEMBL18128409 1.00 TLR9 (0.43) TLR9TLR7CXCR2KRASEGFR
SCHEMBL18128368 0.94 TLR9 (0.45) TLR9TLR7CXCR2KRASEGFR
SCHEMBL31658008 0.94 TLR9 (0.45) TLR9TLR7CXCR2KRASEGFR
SCHEMBL18128573 0.91 TLR9 (0.41) TLR9TLR7CXCR2KRASEGFR
SCHEMBL18128388 0.91 KRAS (0.45) TLR9TLR7CXCR2KRASEGFR
SCHEMBL31657979 0.91 KRAS (0.45) TLR9TLR7CXCR2KRASEGFR
SCHEMBL18128527 0.91 KRAS (0.45) KRASEGFRHMOX2CRYZVAT1
SCHEMBL20970429 0.90 TLR9 (0.48) TLR9TLR7CXCR2KRASEGFR
SCHEMBL18128438 0.89 KRAS (0.45) TLR9TLR7CXCR2KRASEGFR
SCHEMBL19412038 0.89 TLR9 (0.43) TLR9TLR7CXCR2KRASEGFR

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