SCHEMBL6166426

SCHEMBL6166426

CCCCCNc1nc(CC)cnc1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
S1PR2 O95136 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TLR8 Q9NR97 4/20 0.38
LATS1 O95835 1/20 0.37
LATS2 Q9NRM7 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TLR7 Q9NYK1 3/20 0.36
SLC29A1 Q99808 1/20 0.36
HCAR3 P49019 1/20 0.36
CCNB2 O95067 2/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNB3 Q8WWL7 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6166433 0.98 S1PR2 (0.41) NPSR1S1PR2LMNASMN1; SMN2TLR8
SCHEMBL6203304 0.76 UTS2R (0.44) NPSR1S1PR2LMNASMN1; SMN2TLR8
SCHEMBL6204833 0.73 CCR4 (0.42) NPSR1S1PR2LMNASMN1; SMN2TLR8
SCHEMBL6166421 0.70 CRHR1 (0.49)
SCHEMBL6168059 0.70 TLR8 (0.46) NPSR1S1PR2LMNASMN1; SMN2TLR8
SCHEMBL6165652 0.70 TLR8 (0.41) NPSR1S1PR2LMNASMN1; SMN2TLR8
SCHEMBL6167497 0.70 TLR8 (0.40) TLR8TLR7HCAR3CYP2D6UTS2R
SCHEMBL1937548 0.69 STK17A (0.54) NPSR1S1PR2LMNASMN1; SMN2TLR8
SCHEMBL6168023 0.69 KDM4E (0.40) NPSR1S1PR2LMNASMN1; SMN2TLR8
SCHEMBL251411 0.68 MAPKAPK2 (0.36)

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
EP-1499599-A1 SUBSTITUTED PYRAZINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-01-26 EP disclosed
WO-2003091225-A1 SUBSTITUTED PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-11-06 WO disclosed