SCHEMBL8107632

SCHEMBL8107632

CCCCN1c2cccnc2N(CCCC)c2nc(Br)ccc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
ALDH1A1 P00352 5/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH2 P05091 1/20 0.34
ALDH3A1 P30838 1/20 0.34
CES1 P23141 2/20 0.33
CDC25A P30304 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
POLB P06746 1/20 0.33
CFTR P13569 1/20 0.32
KDM1A O60341 2/20 0.32
CHRM2 P08172 1/20 0.32
MAPT P10636 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
SCHEMBL8101367 0.89 ALDH1A1 (0.37) ALDH1A1TP53MAPK1ALDH2ALDH3A1
SCHEMBL8101881 0.87 ALDH1A1 (0.43) ADRA2AADRA2BADRA2CALDH1A1TP53
SCHEMBL8103457 0.82 ALDH1A1 (0.44) ADRA2AADRA2BADRA2CALDH1A1TP53
SCHEMBL8101315 0.81 ALDH1A1 (0.38) ADRA2AADRA2BADRA2CALDH1A1TP53
SCHEMBL8101460 0.79 PKM (0.36) ALDH1A1TP53MAPK1ALDH2ALDH3A1
SCHEMBL8103437 0.76 ALDH1A1 (0.39) ADRA2AADRA2BADRA2CALDH1A1TP53
SCHEMBL4316094 0.76 ADRA2A (0.51) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL8107425 0.76 ADRA2A (0.51) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL8107634 0.74 PKM (0.37) ALDH1A1TP53MAPK1KMT2AMEN1
SCHEMBL8107544 0.71 ALDH1A1 (0.33) ADRA2AADRA2BADRA2CALDH1A1TP53

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