SCHEMBL8093549

SCHEMBL8093549

CCN1c2cccnc2N(CC)c2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GRIA2 P42262 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
MPI P34949 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL4321443 1.00
SCHEMBL8101327 0.94 BRD4 (0.39) BRD4KMT2AMEN1GRIA2ADRA2A
SCHEMBL10133984 0.87 BRD4 (0.38) BRD4KMT2AMEN1GRIA2ADRA2A
SCHEMBL9369777 0.83 BRD4 (0.50) BRD4KMT2AMEN1ALDH1A1NPSR1
SCHEMBL4316094 0.83 ADRA2A (0.51) BRD4KMT2AMEN1ADRA2AADRA2B
SCHEMBL8107425 0.83 ADRA2A (0.51) BRD4KMT2AMEN1ADRA2AADRA2B
SCHEMBL8301100 0.81 ALDH1A1 (0.50) BRD4KMT2AMEN1ALDH1A1NPSR1
SCHEMBL8103457 0.80 ALDH1A1 (0.44) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL8101881 0.79 ALDH1A1 (0.43) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL19481567 0.79 ADRA2B (0.44) KMT2AMEN1ADRA2AADRA2BADRA2C

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