SCHEMBL3237383

SCHEMBL3237383

Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1cnnc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
LCK P06239 5/20 0.35
DGAT1 O75907 1/20 0.35
NAMPT P43490 1/20 0.35
BRD4 O60885 1/20 0.34
CYP17A1 P05093 1/20 0.34
ATR Q13535 1/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
BRD9 Q9H8M2 1/20 0.34

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
SCHEMBL3244009 0.86 MAPKAPK2 (0.39) MAPKAPK2CA12CA1CA9LCK
SCHEMBL14250685 0.74 MAPKAPK2 (0.44) MAPKAPK2CA12CA1CA9NAMPT
SCHEMBL16640661 0.73 SREBF2 (0.41) MAPKAPK2CA12CA1CA9LCK
SCHEMBL1368674 0.73 S1PR2 (0.58) MAPKAPK2CA12CA1CA9LCK
SCHEMBL16302366 0.73 CA12 (0.51) CA12CA1CA9LCKNAMPT
SCHEMBL12902766 0.71 ATR (0.45) MAPKAPK2CA12CA1CA9LCK
SCHEMBL5879121 0.71 L3MBTL1 (0.47) CA12CA1CA9CYP17A1ATR
SCHEMBL3786493 0.71 L3MBTL1 (0.44) CA12CA1CA9NAMPTCYP17A1
SCHEMBL9909940 0.71 S1PR2 (0.47) MAPKAPK2CA12CA1CA9LCK
SCHEMBL14439972 0.70 CA12 (0.49) CA12CA1CA9LCKNAMPT

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-2010001220-A1 NEW 1,2,4-TRIAZINE DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF MUTABILIS SA (FR) 2010-01-07 WO disclosed
EP-2141164-A1 New 1,2,4-triazine derivatives and biological applications thereof Mutabilis (FR) 2010-01-06 EP disclosed