SCHEMBL6203375

SCHEMBL6203375

CCc1nc(C(N)c2ccc(OC)cc2)cnc1-c1cc(OC(F)(F)F)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.45
RUNX1 Q01196 1/20 0.39
CTSA P10619 9/20 0.38
SCN9A Q15858 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GCGR P47871 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
SCHEMBL6203416 0.86 RUNX1 (0.40) CRHR1RUNX1CTSASCN9AMEN1
SCHEMBL5425106 0.84 CRHR1 (0.51) CRHR1RUNX1CTSASCN9A
SCHEMBL6203918 0.80 CRHR1 (0.48) CRHR1RUNX1CTSASCN9A
SCHEMBL5409101 0.79 CRHR1 (0.48) CRHR1RUNX1CTSASCN9AMEN1
SCHEMBL6204014 0.78 RUNX1 (0.40) CRHR1RUNX1CTSASCN9AMEN1
SCHEMBL5404686 0.78 PIM1 (0.46) CRHR1RUNX1SCN9AMEN1KMT2A
SCHEMBL14416670 0.77 CRHR1 (0.49) CRHR1RUNX1CTSASCN9A
SCHEMBL6202812 0.73 CRHR1 (0.62) CRHR1RUNX1CTSA
SCHEMBL5420376 0.73 CRHR1 (0.43) CRHR1RUNX1SCN9AMEN1KMT2A
SCHEMBL14416669 0.69 CRHR1 (0.52) CRHR1CTSASCN9A

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 4 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 disclosed
WO-2004018437-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2004-03-04 WO disclosed
EP-1255740-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2002-11-13 EP disclosed
WO-2001060806-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2001-08-23 WO disclosed