SCHEMBL6186560

SCHEMBL6186560

CSC(Nc1ccc(CNC(=O)OC(C)(C)C)cc1)=C(C#N)C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.52
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
XBP1 P17861 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
PTPN11 Q06124 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP17A1 P05093 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL8579767 0.91 NAMPT (0.46) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL6187053 0.88 BRD4 (0.45) NAMPTMAPTLMNAHTT
SCHEMBL8125200 0.86 CYP17A1 (0.44) NAMPTMAPTL3MBTL1TP53PTPN11
SCHEMBL8575481 0.82 GLS (0.48) NAMPT
SCHEMBL4887467 0.81 NAMPT (0.59) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL8605367 0.80 KCNA5 (0.43) NAMPTHDAC6
SCHEMBL8579008 0.79 AURKA (0.46) NAMPTMAPTHDAC1HDAC6
SCHEMBL19694494 0.78 NAMPT (0.62) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL25438648 0.78 NAMPT (0.49) NAMPTL3MBTL1GAAHDAC1HDAC6
SCHEMBL3180689 0.77 L3MBTL1 (0.61) NAMPTMAPTTDP1FPR3FPR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929553-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2005-03-16 EP disclosed
US-6251911-B1 Pyrimidine derivatives and processes for the preparation thereof NOVARTIS AG (CH) 2001-06-26 US disclosed
EP-0929553-A1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1999-07-21 EP disclosed
WO-1998014450-A1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1998-04-09 WO disclosed
WO-1998014449-A1 FUSED PYRAZOLE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-04-09 WO disclosed