SCHEMBL6203376

SCHEMBL6203376

CCCCCNc1nc(C)c(-c2c(OC)cc(C(=O)N(C)C)cc2OC)nc1OC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.39
TLR8 Q9NR97 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
POLB P06746 1/20 0.35
CRHR1 P34998 1/20 0.35

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
SCHEMBL6203648 0.92 TLR7 (0.40) TLR7
SCHEMBL6203930 0.89 TLR7 (0.44) TLR7TLR8HDAC3HDAC2POLB
SCHEMBL6204471 0.88 TLR7 (0.42) TLR7TLR8HDAC3HDAC2
SCHEMBL6205743 0.87 TLR7 (0.41) TLR7HDAC3HDAC2
SCHEMBL6200464 0.83 TLR7 (0.42) TLR7TLR8POLBCRHR1
SCHEMBL7476643 0.83 CRHR1 (0.44) TLR7TLR8POLBCRHR1
SCHEMBL6203573 0.82 TLR7 (0.41) TLR7TLR8POLBCRHR1
SCHEMBL5434039 0.82 CRHR1 (0.52) CRHR1
SCHEMBL7478618 0.81 CRHR1 (0.42) TLR7TLR8POLBCRHR1
SCHEMBL6201435 0.80 CRHR1 (0.41) TLR7TLR8POLBCRHR1

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