SCHEMBL4753863

SCHEMBL4753863

Nc1nc(N)c2cc(OC(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46

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
SCHEMBL4753626 0.89 PLA2G2A (0.36)
SCHEMBL4755362 0.75 PRSS1 (0.40)
SCHEMBL4756472 0.72 KMT2A (0.54)
SCHEMBL4753837 0.72 DHFR (0.53)
SCHEMBL4754937 0.71 MAPT (0.48)
SCHEMBL4753605 0.71 MAPT (0.44)
SCHEMBL4756415 0.71 KDM4E (0.45)
SCHEMBL4754986 0.71 ALDH1A1 (0.49)
SCHEMBL4755176 0.68 MAPT (0.41)
SCHEMBL4756448 0.68 DHFR (0.46)

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