SCHEMBL6203698

SCHEMBL6203698

CCCCCNc1nc(C)c(-c2c(C)cc(C)cc2C)nc1SC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.37
TLR8 Q9NR97 9/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TLR7 Q9NYK1 5/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
DNM2 P50570 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
SCHEMBL6203259 0.82 TLR7 (0.42) CRHR1TLR8TLR7
SCHEMBL6203447 0.80 TLR7 (0.38) CRHR1TLR8ALDH1A1TLR7POLB
SCHEMBL5434412 0.78 CRHR1 (0.42) CRHR1
SCHEMBL6203899 0.78 TLR7 (0.36) CRHR1ALDH1A1TLR7POLB
SCHEMBL6202690 0.74 CRHR1 (0.46) CRHR1TLR8ALDH1A1TLR7
SCHEMBL6203783 0.73 CRHR1 (0.42) CRHR1ALDH1A1TLR7POLBCYP2D6
SCHEMBL19426745 0.72 CRHR1 (0.41) CRHR1TLR8DNM2
SCHEMBL6204026 0.72 CRHR1 (0.41) CRHR1
SCHEMBL7214399 0.68 CRHR1 (0.42) CRHR1TLR8ALDH1A1CYP3A4
SCHEMBL19427502 0.67 DNM2 (0.48) CRHR1TLR8ALDH1A1DNM2

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