SCHEMBL14746392

SCHEMBL14746392

CCOc1c(C(C)Cl)cc(Cl)c(C)c1C1CN(Cc2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
S1PR5 Q9H228 2/20 0.35
S1PR1 P21453 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
FUCA1 P04066 2/20 0.35
DPP4 P27487 1/20 0.34
BCHE P06276 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 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
SCHEMBL14735979 0.83 GLRA1 (0.41) PIK3CDALDH1A1
SCHEMBL14742564 0.81 MAOB (0.40) DRD2DRD4DRD3S1PR5S1PR1
SCHEMBL14742228 0.81 DRD2 (0.37) DRD2DRD4DRD3L3MBTL1S1PR5
SCHEMBL19156667 0.77 MEN1 (0.36) PIK3CDLMNAALDH1A1HTT
SCHEMBL9929491 0.74 PIK3CD (0.39) PIK3CDALDH1A1DPP4
Hydrochloric Acid SCHEMBL9928983 0.74 PIK3CD (0.39) PIK3CDALDH1A1DPP4
SCHEMBL19157185 0.71 PIK3CD (0.43) PIK3CDDPP4HTT
SCHEMBL23877386 0.67 POLB (0.33) LMNAALDH1A1TSHRHTT
SCHEMBL14735921 0.67 THRB (0.37) PIK3CDLMNAALDH1A1TSHRHTT
SCHEMBL29689131 0.67 POLB (0.33) LMNAALDH1A1TSHRHTT

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-2751109-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS Incyte Corporation (US) 2014-07-09 EP disclosed
WO-2013033569-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 WO disclosed