SCHEMBL6168023

SCHEMBL6168023

CCCCCCCNc1nc(CC)c(Br)nc1CC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TLR8 Q9NR97 7/20 0.40
SLC29A1 Q99808 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
S1PR2 O95136 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TLR7 Q9NYK1 4/20 0.36
KMT2A Q03164 1/20 0.36
GPR84 Q9NQS5 2/20 0.36
ABL1 P00519 1/20 0.36
DNM2 P50570 1/20 0.34
MMP3 P08254 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6165652 0.98 TLR8 (0.41) KDM4EALDH1A1HPGDTLR8SLC29A1
SCHEMBL6168059 0.78 TLR8 (0.46) KDM4EALDH1A1HPGDTLR8SLC29A1
SCHEMBL6204833 0.74 CCR4 (0.42) KDM4EALDH1A1HPGDTLR8SLC29A1
SCHEMBL6166433 0.71 S1PR2 (0.41) KDM4EALDH1A1HPGDTLR8SLC29A1
SCHEMBL4628918 0.69 TLR8 (0.49) TLR8SLC29A1TLR7
SCHEMBL6166426 0.69 NPSR1 (0.39) KDM4EALDH1A1HPGDTLR8SLC29A1
SCHEMBL6203304 0.67 UTS2R (0.44) KDM4ETLR8SLC29A1NPSR1S1PR2
SCHEMBL3298621 0.65 KMT2A (0.67) SLC29A1NPSR1KMT2ADNM2
SCHEMBL14441519 0.65 KMT2A (0.67) SLC29A1NPSR1KMT2ADNM2
SCHEMBL403583 0.65 KMT2A (0.67) SLC29A1NPSR1KMT2ADNM2

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