SCHEMBL6202667

SCHEMBL6202667

CCCCCNc1nc(CC)c(-c2cnc(OC)nc2OC)nc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.60
TLR7 Q9NYK1 4/20 0.40
TLR8 Q9NR97 3/20 0.40
CCR4 P51679 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA2 P47869 1/20 0.35
PLAU P00749 1/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL6203258 0.88 CRHR1 (0.47) CRHR1TLR7TLR8CCR4GABRG2
SCHEMBL6204988 0.80 CRHR1 (0.60) CRHR1TLR7TLR8
SCHEMBL7474850 0.78 CRHR1 (0.46) CRHR1TLR7TLR8
SCHEMBL6203029 0.77 CRHR1 (0.46) CRHR1TLR7TLR8
SCHEMBL7482439 0.76 CRHR1 (0.53) CRHR1
SCHEMBL7606978 0.76 CRHR1 (0.59) CRHR1
SCHEMBL5411511 0.75 CRHR1 (1.00) CRHR1
SCHEMBL6202560 0.75 CRHR1 (0.42) CRHR1TLR7TLR8
SCHEMBL7479379 0.75 CRHR1 (0.57) CRHR1
SCHEMBL7476944 0.75 CRHR1 (0.60) CRHR1

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