SCHEMBL6199780

SCHEMBL6199780

CCCCCNc1nc(C)c(-c2ccc(C(F)(F)F)cc2Cl)nc1C#N

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
POLB P06746 1/20 0.36
NLRP3 Q96P20 1/20 0.36
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ALOX15 P16050 1/20 0.34
CNR1 P21554 1/20 0.34
ACP1 P24666 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
SCHEMBL6204026 0.83 CRHR1 (0.41) CRHR1ACP1
SCHEMBL6203740 0.83 CRHR1 (0.54) CRHR1
SCHEMBL5473723 0.82 CRHR1 (0.55) CRHR1
SCHEMBL6204586 0.74 USP8 (0.43) CRHR1POLBALOX15
SCHEMBL7472159 0.73 CRHR1 (0.54) CRHR1
SCHEMBL6203800 0.73 CRHR1 (0.39) CRHR1POLBALOX15
SCHEMBL6204612 0.72 POLB (0.39) CRHR1POLB
SCHEMBL6074443 0.70 CRHR1 (0.65) CRHR1CNR1
SCHEMBL7484320 0.67 CRHR1 (0.50) CRHR1
SCHEMBL5432945 0.67 CRHR1 (0.79) 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