SCHEMBL6204014

SCHEMBL6204014

COc1ccc(C(N)c2nc(Cl)cnc2-c2cc(OC(F)(F)F)ccc2OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RUNX1 Q01196 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CTSA P10619 6/20 0.39
SCN9A Q15858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ABL1 P00519 2/20 0.35
GCGR P47871 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KCNH2 Q12809 1/20 0.34
CRHR1 P34998 1/20 0.34
CHRM5 P08912 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 0.84 RUNX1 (0.40) RUNX1MEN1KMT2ACTSASCN9A
SCHEMBL6203375 0.78 CRHR1 (0.45) RUNX1MEN1KMT2ACTSASCN9A
SCHEMBL5409879 0.75 VNN1 (0.45) RUNX1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL6203918 0.73 CRHR1 (0.48) RUNX1CTSASCN9ACRHR1
SCHEMBL5425106 0.70 CRHR1 (0.51) RUNX1CTSASCN9ACRHR1
SCHEMBL5406457 0.69 PIM1 (0.46) RUNX1MEN1KMT2ASCN9ASMN1; SMN2
SCHEMBL6202812 0.69 CRHR1 (0.62) RUNX1CTSACRHR1CHRM5
SCHEMBL5409786 0.68 CRHR1 (0.47) RUNX1CTSASCN9ACRHR1
SCHEMBL5409101 0.66 CRHR1 (0.48) RUNX1MEN1KMT2ACTSASCN9A
SCHEMBL5404686 0.65 PIM1 (0.46) RUNX1MEN1KMT2ASCN9ASMN1; SMN2

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 disclosed
WO-2004018437-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2004-03-04 WO disclosed