SCHEMBL6203899

SCHEMBL6203899

CCCCCNc1nc(C)c(-c2c(OC)cc(C(C)C)cc2OC)nc1SC

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.36
CRHR1 P34998 3/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
BRD4 O60885 1/20 0.32

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
SCHEMBL6201435 0.88 CRHR1 (0.41) TLR7CRHR1ALDH1A1POLB
SCHEMBL6203447 0.88 TLR7 (0.38) TLR7CRHR1ALDH1A1POLB
SCHEMBL5438738 0.84 CRHR1 (0.45) CRHR1
SCHEMBL6202690 0.78 CRHR1 (0.46) TLR7CRHR1ALDH1A1
SCHEMBL6203698 0.78 CRHR1 (0.37) TLR7CRHR1ALDH1A1POLB
SCHEMBL6204903 0.78 CRHR1 (0.40) TLR7CRHR1ALDH1A1POLB
SCHEMBL6203783 0.77 CRHR1 (0.42) TLR7CRHR1ALDH1A1POLB
SCHEMBL7476643 0.76 CRHR1 (0.44) TLR7CRHR1ALDH1A1POLB
SCHEMBL6203035 0.75 CRHR1 (0.51) TLR7CRHR1
SCHEMBL6201715 0.74 CRHR1 (0.39) TLR7CRHR1ALDH1A1POLB

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