SCHEMBL6204612

SCHEMBL6204612

CCCCCNc1nc(C)c(-c2c(OC)cc(Cl)cc2OC)nc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
CRHR1 P34998 5/20 0.37
TLR7 Q9NYK1 4/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PGK1 P00558 4/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TLR8 Q9NR97 1/20 0.33
GSK3B P49841 1/20 0.33
MAP4K2 Q12851 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL7476643 0.84 CRHR1 (0.44) POLBCRHR1TLR7ALDH1A1TLR8
SCHEMBL6201012 0.83 TLR7 (0.41) POLBCRHR1TLR7ALDH1A1TLR8
SCHEMBL6203447 0.81 TLR7 (0.38) POLBCRHR1TLR7ALDH1A1PGK1
SCHEMBL5449186 0.81 CRHR1 (0.48) CRHR1
SCHEMBL6204586 0.76 USP8 (0.43) POLBCRHR1TLR7ALDH1A1SMN1; SMN2
SCHEMBL6203800 0.74 CRHR1 (0.39) POLBCRHR1TLR7ALDH1A1KDM4E
SCHEMBL6200464 0.73 TLR7 (0.42) POLBCRHR1TLR7ALDH1A1CYP2C9
SCHEMBL6201435 0.72 CRHR1 (0.41) POLBCRHR1TLR7ALDH1A1TLR8
SCHEMBL6203100 0.72 CRHR1 (0.40) CRHR1TLR7TLR8
SCHEMBL6199780 0.72 CRHR1 (0.40) POLBCRHR1

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-1554258-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2005-07-20 EP claimed
WO-2004018437-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2004-03-04 WO claimed