SCHEMBL4753592

SCHEMBL4753592

COc1c(C(=O)O)cc(C)cc1-c1ccc2nc(N)nc(N)c2c1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 11/20 0.47
SQSTM1 Q13501 1/20 0.45

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
SCHEMBL4753839 0.88 DHFR (0.50) DHFRSQSTM1
SCHEMBL4756475 0.86 DHFR (0.49) DHFRSQSTM1
SCHEMBL4754948 0.81 DHFR (0.41) DHFRSQSTM1
SCHEMBL4754950 0.81 DHFR (0.41) DHFRSQSTM1
SCHEMBL4754987 0.79 SQSTM1 (0.45) DHFRSQSTM1
SCHEMBL4756452 0.79 SQSTM1 (0.48) DHFRSQSTM1
SCHEMBL4756382 0.76 DHFR (0.52) DHFR
SCHEMBL6750818 0.74 DHODH (0.45) DHFRSQSTM1
SCHEMBL4755174 0.74 SQSTM1 (0.48) DHFRSQSTM1
SCHEMBL7820121 0.73 HSD17B10 (0.50)

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