SCHEMBL9952344

SCHEMBL9952344

C[CH]c1cc(Cl)c(C)c(-c2ccc(C=O)nc2)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.36
ERN1 O75460 4/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30

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
SCHEMBL9952348 0.87 PIK3CD (0.34) PIK3CDERN1MEN1ALDH1A1POLB
SCHEMBL9952574 0.85 PIK3CD (0.33) PIK3CDMEN1ALDH1A1POLBMAPT
SCHEMBL18917317 0.79 HIF1A (0.37) PIK3CDMAPT
SCHEMBL9929333 0.77 PIK3CD (0.44) PIK3CD
SCHEMBL9929196 0.74 PIK3CD (0.42) PIK3CD
SCHEMBL14753989 0.65 PIK3CD (0.47) PIK3CD
SCHEMBL9952363 0.65 IMPDH2 (0.38) PIK3CDPOLB
SCHEMBL30893537 0.65 KCNJ1 (0.44) PIK3CDERN1MEN1ALDH1A1MAPT
SCHEMBL29893944 0.65 KCNJ1 (0.44) PIK3CDERN1MEN1ALDH1A1MAPT
SCHEMBL16761877 0.65 KCNJ1 (0.44) PIK3CDERN1MEN1ALDH1A1MAPT

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