SCHEMBL4628396

SCHEMBL4628396

CCC(CC)Nc1cncc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.47
CRHR1 P34998 8/20 0.42
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 0.38
CDK5R1 Q15078 1/20 0.38
LATS1 O95835 1/20 0.34
LATS2 Q9NRM7 1/20 0.34
ELANE P08246 1/20 0.31

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
SCHEMBL4784282 0.87 FYN (0.41) FYNCRHR1HCAR3HCAR2CCNA2
SCHEMBL21140560 0.85 FYN (0.38) FYNCRHR1CCNA2CDK2CCNA1
SCHEMBL4628001 0.79 FYN (0.46) FYNCRHR1HCAR3HCAR2CCNA2
SCHEMBL6468910 0.79 FYN (0.51) FYNCRHR1HCAR3HCAR2CCNA2
SCHEMBL5414326 0.79 FYN (0.46) FYNCRHR1HCAR3HCAR2CCNA2
SCHEMBL15357781 0.78 TRPM8 (0.41) HCAR3DYRK1A
SCHEMBL4935809 0.77 FYN (0.35) FYNCRHR1HCAR3HCAR2
SCHEMBL5416416 0.77 FYN (0.44) FYNCRHR1HCAR3HCAR2CCNA2
SCHEMBL12497287 0.74 GRM5 (0.35) HCAR3
SCHEMBL19121474 0.73 CRHR1 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1734820-A4 IMIDAZOPYRAZINES, IMIDAZOPYRIDINES, AND IMIDAZOPYRIMIDINES AS CRF1 RECEPTOR LIGANDS NEUROGEN CORP (US) 2008-01-23 EP disclosed
EP-1734820-A2 IMIDAZOPYRAZINES, IMIDAZOPYRIDINES, AND IMIDAZOPYRIMIDINES AS CRF1 RECEPTOR LIGANDS Neurogen Corporation (US) 2006-12-27 EP disclosed
WO-2005115399-A2 IMIDAZOPYRAZINES, IMIDAZOPYRIDINES, ANS IMIDAZOPYRIMIDINES AS CRF1 RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-12-08 WO disclosed