SCHEMBL30316630

SCHEMBL30316630

Cc1nn(Cc2cccnc2)c2nc(Cl)cnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2B Q13224 2/20 0.47
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
P2RX7 Q99572 7/20 0.42
PDE5A O76074 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
TRPA1 O75762 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PDE6D O43924 1/20 0.39
PDE6A P16499 1/20 0.39
PDE6G P18545 1/20 0.39
PDE6B P35913 1/20 0.39
PDE6C P51160 1/20 0.39
PDE6H Q13956 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL25205149 1.00 NR3C1 (0.47) NR3C1L3MBTL1GRIN1GRIN2BALDH1A1
SCHEMBL25560840 0.85 GRIN2B (0.49) NR3C1GRIN1GRIN2BALDH1A1PKM
SCHEMBL30328294 0.79 ALDH1A1 (0.43) NR3C1ALDH1A1PTGDR2
SCHEMBL5794517 0.76 L3MBTL1 (0.54) NR3C1L3MBTL1ALDH1A1
SCHEMBL25234793 0.75 GRIN2B (0.54) NR3C1GRIN1GRIN2BALDH1A1PKM
SCHEMBL31001106 0.73 IGF1R (0.51) NR3C1L3MBTL1GRIN1GRIN2BTLR7
SCHEMBL25560931 0.71 GRIN1 (0.46) NR3C1GRIN1GRIN2BPDE5ATLR7
SCHEMBL17949620 0.71 ALDH1A1 (0.54) L3MBTL1GRIN1GRIN2BALDH1A1PKM
SCHEMBL30328542 0.70 PDE10A (0.34) GRIN1GRIN2BALDH1A1
SCHEMBL17963113 0.70 NR3C1 (0.72) NR3C1

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-4363423-A1 CDK2 INHIBITORS Blueprint Medicines Corporation (US) 2024-05-08 EP disclosed
WO-2023278326-A1 CDK2 INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2023-01-05 WO disclosed