SCHEMBL29907232

SCHEMBL29907232

CCOc1cccc2[nH]cnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
CBFB Q13951 1/20 0.48
BRD4 O60885 1/20 0.47
HTR1A P08908 2/20 0.45
ALDH1A1 P00352 5/20 0.44
PARP1 P09874 1/20 0.44
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ABL1 P00519 1/20 0.41
RAD52 P43351 1/20 0.41
RIN1 Q13671 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL12894974 1.00 DRD2 (0.54) DRD2DRD4DRD3CBFBBRD4
SCHEMBL31588180 0.98 DRD2 (0.52) DRD2DRD4DRD3CBFBBRD4
SCHEMBL11784065 0.86 DRD2 (0.58) DRD2DRD4DRD3BRD4HTR1A
SCHEMBL10140 0.81 BRD4 (0.60) DRD2DRD4DRD3CBFBBRD4
SCHEMBL8130854 0.79 DRD4 (0.58) DRD2DRD4DRD3BRD4HTR1A
SCHEMBL8486072 0.79 DRD4 (0.58) DRD2DRD4DRD3BRD4HTR1A
SCHEMBL4604974 0.79 PARP1 (0.46) DRD2DRD4DRD3BRD4PARP1
SCHEMBL9529342 0.78 DRD4 (0.64) DRD2DRD4DRD3BRD4HTR1A
SCHEMBL7280669 0.78 DRD4 (0.57) DRD2DRD4DRD3BRD4HTR1A
SCHEMBL7280664 0.78 DRD4 (0.44) DRD2DRD4DRD3BRD4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326719-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-02-28 EP disclosed
WO-2022221939-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE UNIVERSITE DE MONTREAL (CA) 2022-10-27 WO disclosed