SCHEMBL8103434

SCHEMBL8103434

CN1c2ccc(N)nc2N(C)c2cccnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
LMNA P02545 2/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRMT5 O14744 1/20 0.33
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MYC P01106 1/20 0.32
BRD4 O60885 3/20 0.32
BRDT Q58F21 1/20 0.32

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
SCHEMBL7468232 0.95 ADRA2A (0.33) ADRA2AADRA2BADRA2CLMNANOS3
SCHEMBL8101449 0.83 MYC (0.40) ADRA2AADRA2BADRA2CLMNANOS3
SCHEMBL8103219 0.77 ADORA3 (0.39) ADRA2AADRA2BADRA2CLMNANOS3
SCHEMBL8109276 0.76 ALDH1A1 (0.46) LMNASMN1; SMN2ADORA3ADORA2AADORA1
SCHEMBL8103233 0.73 KDM4E (0.40) LMNASMN1; SMN2BRD4
SCHEMBL8107912 0.71 CYP2D6 (0.42) ADRA2AADRA2BADRA2CLMNASMN1; SMN2
SCHEMBL8101322 0.71
SCHEMBL8103445 0.70 CYP2D6 (0.44) ADRA2AADRA2BADRA2CLMNASMN1; SMN2
SCHEMBL8103439 0.69 KDM4E (0.40) LMNASMN1; SMN2BRD4
SCHEMBL8107564 0.69 ADRA2A (0.47) ADRA2AADRA2BADRA2CLMNABRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127369-A 5,10-dihydrodipyrido[2,3-b:2,3-e]pyrazin and 5,10-dihydrodipyrido[2,3-b:3,2-e]pyrazin compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed