SCHEMBL4753737

SCHEMBL4753737

CCOC(=O)Nc1c(C(=O)O)cc(OC)c(OC)c1-c1ccc2nc(N)nc(N)c2c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.44
SQSTM1 Q13501 1/20 0.43
NEK2 P51955 2/20 0.41
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL4756452 0.79 SQSTM1 (0.48) DHFRSQSTM1NEK2
SCHEMBL4755174 0.76 SQSTM1 (0.48) DHFRSQSTM1NEK2
SCHEMBL4753525 0.74 DHFR (0.46) DHFRNEK2KDM4EALDH1A1HPGD
SCHEMBL4753726 0.73 SMN1; SMN2 (0.45) DHFRSMN1; SMN2
SCHEMBL4754987 0.73 SQSTM1 (0.45) DHFRSQSTM1NEK2
SCHEMBL4753592 0.71 DHFR (0.47) DHFRSQSTM1
SCHEMBL4756475 0.69 DHFR (0.49) DHFRSQSTM1
SCHEMBL4753839 0.69 DHFR (0.50) DHFRSQSTM1SMN1; SMN2
SCHEMBL6750818 0.69 DHODH (0.45) DHFRSQSTM1
SCHEMBL4753723 0.67 NEK2 (0.51) DHFRNEK2ALDH1A1HPGD

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