SCHEMBL8312433

SCHEMBL8312433

O=C1CCCN1CCOc1cc2c(NC3CCCCC3)ncnc2cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CD38 P28907 3/20 0.43
EGFR P00533 1/20 0.41
EHMT1 Q9H9B1 1/20 0.41
PIK3CD O00329 1/20 0.39
CASK O14936 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
SCHEMBL6369876 0.84 HPGDS (0.45) CD38
SCHEMBL6364295 0.81 AURKA (0.44) CD38
SCHEMBL6368598 0.80 IRAK4 (0.48) EGFR
SCHEMBL6363927 0.78 AURKA (0.49)
SCHEMBL6369862 0.76 KDR (0.48) EGFREHMT1
SCHEMBL6368444 0.75 IRAK4 (0.45) CD38EGFR
SCHEMBL6363667 0.74 CD38 (0.41) CD38EGFR
SCHEMBL6363672 0.74 CD38 (0.41) CD38EGFR
SCHEMBL16332916 0.70 POLB (0.47)
SCHEMBL6368103 0.69 IRAK4 (0.45) CD38

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
WO-2005016925-A1 AZAQUINAZOLINE DERIVATIVES PFIZER LIMITED (GB) 2005-02-24 WO disclosed