SCHEMBL9952076

SCHEMBL9952076

COc1c(CC=O)cc(Cl)c(C)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 12/20 0.47
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
SLC2A1 P11166 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31

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
SCHEMBL9953161 0.81 IMPDH2 (0.47) IMPDH2GAAKDM4EALDH1A1SLC2A1
SCHEMBL9952629 0.81 IMPDH2 (0.47) IMPDH2GAAKDM4EALDH1A1SLC2A1
SCHEMBL14742448 0.78 IMPDH2 (0.45) IMPDH2GAAKDM4EALDH1A1SLC2A1
SCHEMBL9953479 0.76 TSHR (0.43) IMPDH2KDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL8427155 0.73 KMT2A (0.54) IMPDH2GAAKDM4EALDH1A1CYP1A2
SCHEMBL9952188 0.72 IMPDH2 (0.39) IMPDH2GAAKDM4EALDH1A1SLC2A1
SCHEMBL9952242 0.72 IMPDH2 (0.36) IMPDH2GAAALDH1A1CYP1A2KMT2A
SCHEMBL9952973 0.72 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6446694 0.70 GLA (0.44) IMPDH2ALDH1A1KMT2A
SCHEMBL5273699 0.70 KMT2A (0.38) IMPDH2GAAKDM4EALDH1A1CYP1A2

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-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed