SCHEMBL6204833

SCHEMBL6204833

CCCCCNc1ncc(Br)nc1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 2/20 0.42
EDNRA P25101 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
S1PR2 O95136 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR8 Q9NR97 4/20 0.38
LATS1 O95835 1/20 0.36
LATS2 Q9NRM7 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SLC29A1 Q99808 1/20 0.35
HCAR3 P49019 1/20 0.35
CCNB2 O95067 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL22302427 0.83 SLC29A1 (0.41) CCR4NPSR1TLR8L3MBTL1SLC29A1
SCHEMBL6165652 0.76 TLR8 (0.41) NPSR1S1PR2LMNASMN1; SMN2TLR8
SCHEMBL6203304 0.75 UTS2R (0.44) NPSR1S1PR2LMNASMN1; SMN2TLR8
SCHEMBL6168023 0.74 KDM4E (0.40) NPSR1S1PR2LMNASMN1; SMN2TLR8
SCHEMBL6166426 0.73 NPSR1 (0.39) NPSR1S1PR2LMNASMN1; SMN2TLR8
SCHEMBL22303510 0.73 L3MBTL1 (0.40) CCR4NPSR1TLR8LATS1LATS2
SCHEMBL6166433 0.72 S1PR2 (0.41) NPSR1S1PR2LMNASMN1; SMN2TLR8
SCHEMBL22303507 0.72 FLT3 (0.30)
SCHEMBL5414343 0.71 CRHR1 (0.51) CCR4EDNRA
SCHEMBL7154511 0.71 MAPT (0.48) NPSR1S1PR2LMNASMN1; SMN2TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554258-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2005-07-20 EP disclosed
WO-2004018437-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2004-03-04 WO disclosed
EP-1255740-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2002-11-13 EP disclosed
WO-2001060806-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2001-08-23 WO disclosed