SCHEMBL6203783

SCHEMBL6203783

CCCCCNc1nc(C)c(-c2ccc(F)cc2OC)nc1SC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.42
TLR7 Q9NYK1 7/20 0.38
KCNH3 Q9ULD8 1/20 0.35
CTSA P10619 1/20 0.35
KCNH2 Q12809 2/20 0.34
CYP2D6 P10635 1/20 0.34
GRIN2B Q13224 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 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
SCHEMBL6202690 0.91 CRHR1 (0.46) CRHR1TLR7ALDH1A1
SCHEMBL7478304 0.81 CRHR1 (0.41) CRHR1TLR7KCNH3CTSAKCNH2
SCHEMBL5440450 0.81 CRHR1 (0.60) CRHR1
SCHEMBL6203447 0.80 TLR7 (0.38) CRHR1TLR7ALDH1A1POLB
SCHEMBL7477860 0.80 CRHR1 (0.53) CRHR1KCNH3CTSA
SCHEMBL7119050 0.78 CRHR1 (0.48) CRHR1TLR7
SCHEMBL6203899 0.77 TLR7 (0.36) CRHR1TLR7ALDH1A1POLB
SCHEMBL6204026 0.76 CRHR1 (0.41) CRHR1
SCHEMBL6203035 0.75 CRHR1 (0.51) CRHR1TLR7
SCHEMBL7472049 0.75 CRHR1 (0.56) 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