SCHEMBL6203602

SCHEMBL6203602

CCCCCOc1nc(Br)c(-c2ccc(OCC)cc2OC)nc1NC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.45
CACNA2D1 P54289 1/20 0.36
LRRK2 Q5S007 1/20 0.34
MAPT P10636 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ATM Q13315 1/20 0.33
MEN1 O00255 2/20 0.33
ALOX12 P18054 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL6204985 0.99 CRHR1 (0.44) CRHR1CACNA2D1LRRK2THRATHRB
SCHEMBL6202389 0.99 CRHR1 (0.44) CRHR1CACNA2D1LRRK2THRATHRB
SCHEMBL5446474 0.92 CRHR1 (0.49) CRHR1CACNA2D1LRRK2MAPTATM
SCHEMBL6203048 0.89 CRHR1 (0.46) CRHR1
SCHEMBL6204012 0.89 CRHR1 (0.45) CRHR1CACNA2D1LRRK2MAPTTHRA
SCHEMBL6203200 0.88 CRHR1 (0.43) CRHR1
SCHEMBL6202607 0.88 CRHR1 (0.46) CRHR1THRATHRB
SCHEMBL6204280 0.88 CRHR1 (0.46) CRHR1THRATHRB
SCHEMBL6203243 0.88 CRHR1 (0.48) CRHR1
SCHEMBL6204277 0.88 CRHR1 (0.45) CRHR1CACNA2D1LRRK2THRATHRB

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