SCHEMBL4628403

SCHEMBL4628403

CCCCCNc1cncc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.47
DNM2 P50570 11/20 0.46
HCAR3 P49019 1/20 0.43
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNH3 Q9ULD8 1/20 0.39
LATS1 O95835 1/20 0.38
LATS2 Q9NRM7 1/20 0.38

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
SCHEMBL19454317 0.89 TLR8 (0.42) TLR8DNM2HCAR3ALDH1A1LMNA
SCHEMBL3193118 0.81 TLR8 (0.47) TLR8DNM2HCAR3KCNH3LATS1
SCHEMBL12263362 0.81 KDR (0.45) TLR8ALDH1A1MAPK1KCNH3
SCHEMBL12497287 0.80 GRM5 (0.35) TLR8HCAR3LMNA
SCHEMBL24672584 0.80 TLR8 (0.58) TLR8DNM2ALDH1A1LMNATP53
SCHEMBL4628006 0.80 HRH1 (0.50) TLR8DNM2HCAR3
SCHEMBL3186741 0.80 TLR8 (0.46) TLR8DNM2HCAR3
SCHEMBL12263364 0.80 TP53 (0.49) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL15286462 0.79 PIM2 (0.39) TLR8ALDH1A1SMN1; SMN2
SCHEMBL18462430 0.79 DNM2 (0.42) TLR8DNM2HCAR3

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