SCHEMBL6202548

SCHEMBL6202548

CCCCCNc1nc(C)c(-c2c(OC)cc(CCOC)cc2OC)nc1OC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.38
CRHR1 P34998 3/20 0.37
TLR8 Q9NR97 4/20 0.37
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL7475052 0.89 TLR7 (0.38) TLR7CRHR1TLR8ALDH1A1POLB
SCHEMBL6203100 0.89 CRHR1 (0.40) TLR7CRHR1TLR8
SCHEMBL6200464 0.88 TLR7 (0.42) TLR7CRHR1TLR8ALDH1A1POLB
SCHEMBL7476643 0.85 CRHR1 (0.44) TLR7CRHR1TLR8ALDH1A1POLB
SCHEMBL6203573 0.85 TLR7 (0.41) TLR7CRHR1TLR8ALDH1A1POLB
SCHEMBL6201715 0.83 CRHR1 (0.39) TLR7CRHR1TLR8ALDH1A1POLB
SCHEMBL6201435 0.83 CRHR1 (0.41) TLR7CRHR1TLR8ALDH1A1POLB
SCHEMBL6202546 0.81 CRHR1 (0.55) CRHR1
SCHEMBL6205743 0.81 TLR7 (0.41) TLR7ALDH1A1HPGD
SCHEMBL6203930 0.81 TLR7 (0.44) TLR7CRHR1TLR8POLB

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