SCHEMBL6204026

SCHEMBL6204026

CCCCCNc1nc(C)c(-c2ccc(C(F)(F)F)cc2Cl)nc1SC

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.41
ACP1 P24666 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
HSD11B1 P28845 1/20 0.33

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
SCHEMBL6203740 0.86 CRHR1 (0.54) CRHR1
SCHEMBL6199780 0.83 CRHR1 (0.40) CRHR1ACP1
SCHEMBL5441653 0.82 CRHR1 (0.58) CRHR1
SCHEMBL7472159 0.76 CRHR1 (0.54) CRHR1
SCHEMBL6203783 0.76 CRHR1 (0.42) CRHR1
SCHEMBL6202690 0.74 CRHR1 (0.46) CRHR1
SCHEMBL6074443 0.73 CRHR1 (0.65) CRHR1
SCHEMBL6203447 0.72 TLR7 (0.38) CRHR1
SCHEMBL6203698 0.72 CRHR1 (0.37) CRHR1
SCHEMBL7484320 0.70 CRHR1 (0.50) CRHR1

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