SCHEMBL16660838

SCHEMBL16660838

COC(=O)C(C)(C)CCCc1cc(C)c(-c2cnc(C(=N)N)nc2)cn1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 3/20 0.35
AAK1 Q2M2I8 2/20 0.33
DGAT1 O75907 7/20 0.32
DYRK1A Q13627 1/20 0.31
NNMT P40261 1/20 0.30

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
SCHEMBL16790076 0.81 AAK1 (0.46) AAK1DGAT1
SCHEMBL20428567 0.80 TMPRSS15 (0.43) TMPRSS15DGAT1
SCHEMBL16660998 0.76 HCRTR1 (0.36) TMPRSS15DGAT1DYRK1A
SCHEMBL16787610 0.72 DGAT1 (0.48) DGAT1
SCHEMBL20428832 0.69 TMPRSS15 (0.42) TMPRSS15DGAT1
SCHEMBL15293797 0.69 DGAT1 (0.49) AAK1DGAT1
SCHEMBL15293916 0.69 DGAT1 (0.46) AAK1DGAT1
SCHEMBL10177236 0.69 DGAT1 (0.48) AAK1DGAT1
SCHEMBL20428637 0.68 HCRTR1 (0.38) DGAT1DYRK1A
SCHEMBL10177482 0.67 DGAT1 (0.48) AAK1DGAT1

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
EP-2862856-A1 AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-04-22 EP disclosed