SCHEMBL4754987

SCHEMBL4754987

COc1c(C(=O)O)ccc(N)c1-c1ccc2nc(N)nc(N)c2c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SQSTM1 Q13501 1/20 0.45
DHFR P00374 6/20 0.42
NEK2 P51955 1/20 0.41

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
SCHEMBL4756475 0.81 DHFR (0.49) SQSTM1DHFR
SCHEMBL4756452 0.81 SQSTM1 (0.48) SQSTM1DHFRNEK2
SCHEMBL4753592 0.79 DHFR (0.47) SQSTM1DHFR
SCHEMBL4753839 0.79 DHFR (0.50) SQSTM1DHFR
SCHEMBL4755174 0.78 SQSTM1 (0.48) SQSTM1DHFRNEK2
SCHEMBL6750818 0.76 DHODH (0.45) SQSTM1DHFR
SCHEMBL4753525 0.73 DHFR (0.46) DHFRNEK2
SCHEMBL4753737 0.73 DHFR (0.44) SQSTM1DHFRNEK2
SCHEMBL4754948 0.73 DHFR (0.41) SQSTM1DHFR
SCHEMBL4754950 0.73 DHFR (0.41) SQSTM1DHFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO claimed
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO disclosed