SCHEMBL6202450

SCHEMBL6202450

CCCCCNc1nc(C)c(-c2ccc(OC(F)(F)F)cc2O)nc1OC

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.56
BRD4 O60885 5/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
IL1B P01584 2/20 0.37
TLR7 Q9NYK1 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
SCHEMBL5438867 0.82 CRHR1 (0.81) CRHR1
SCHEMBL6201263 0.82 CRHR1 (0.62) CRHR1BRD4TLR7
SCHEMBL7477663 0.80 CRHR1 (0.45) CRHR1TLR7
SCHEMBL4924779 0.80 CRHR1 (0.58) CRHR1BRD4TLR7
SCHEMBL6205812 0.79 CRHR1 (0.45) CRHR1TLR7
SCHEMBL7472049 0.78 CRHR1 (0.56) CRHR1TLR7
SCHEMBL7473622 0.78 CRHR1 (0.58) CRHR1BRD4TLR7
SCHEMBL7482570 0.78 CRHR1 (0.57) CRHR1BRD4
SCHEMBL6203377 0.77 CRHR1 (0.53) CRHR1TLR7
SCHEMBL7484320 0.77 CRHR1 (0.50) CRHR1TLR7

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