SCHEMBL8107429

SCHEMBL8107429

COCCN1c2cccnc2N(CCOC)c2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
SIRT6 Q8N6T7 1/20 0.39
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD2 P14416 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPK14 Q16539 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
MPO P05164 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 0.79 ADRA2A (0.51) BRD4LMNACYP2C19KMT2AMEN1
SCHEMBL8107425 0.79 ADRA2A (0.51) BRD4LMNACYP2C19KMT2AMEN1
SCHEMBL8103457 0.76 ALDH1A1 (0.44) POLBALDH1A1CYP1A2DRD2KMT2A
SCHEMBL8093549 0.75 BRD4 (0.39) BRD4POLBALDH1A1CYP2C9CYP2C19
SCHEMBL4321443 0.75
SCHEMBL23878783 0.74 RAB9A (0.41) ALDH1A1LMNATDP1KMT2AMPO
SCHEMBL29397172 0.74 RAB9A (0.41) ALDH1A1LMNATDP1KMT2AMPO
SCHEMBL8107564 0.74 ADRA2A (0.47) BRD4LMNACYP2C9CYP2C19KMT2A
SCHEMBL8101327 0.73 BRD4 (0.39) BRD4POLBALDH1A1CYP2C9CYP2C19
SCHEMBL8093557 0.72 CYP2D6 (0.51) POLBALDH1A1LMNATDP1CYP1A2

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