SCHEMBL8107425

SCHEMBL8107425

CCCN1c2cccnc2N(CCC)c2cccnc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.51
ADRA2B P18089 3/20 0.51
ADRA2C P18825 3/20 0.51
LMNA P02545 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
BRD4 O60885 2/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.34
NSD2 O96028 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4316094 1.00 ADRA2A (0.51) ADRA2AADRA2BADRA2CLMNAKMT2A
SCHEMBL8107564 0.93 ADRA2A (0.47) ADRA2AADRA2BADRA2CLMNAKMT2A
SCHEMBL8103457 0.89 ALDH1A1 (0.44) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL8093549 0.83 BRD4 (0.39) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL4321443 0.83
SCHEMBL8101881 0.83 ALDH1A1 (0.43) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL8101327 0.82 BRD4 (0.39) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL8107429 0.79 BRD4 (0.40) ADRA2AADRA2BADRA2CLMNAKMT2A
SCHEMBL8299628 0.78 BRD4 (0.45) ADRA2AADRA2BADRA2CCYP3A4CYP2C19
SCHEMBL8093557 0.77 CYP2D6 (0.51) ADRA2AADRA2BADRA2CLMNAKMT2A

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