SCHEMBL2012265

SCHEMBL2012265

OCCc1ccc2cccnc2c1-c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.42
PDE4A P27815 4/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
KDM4E B2RXH2 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
MMP2 P08253 2/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL2011511 0.90 KDM4E (0.40) KDM4EHTR2AHTR2CMMP2TSHR
SCHEMBL2011259 0.87 TAAR1 (0.43) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL2015807 0.85 MAPK14 (0.36) KDM4EHTR2AHTR2CMMP2TSHR
SCHEMBL2718191 0.79 KDM4E (0.42) KDM4EMMP2TSHRCYP3A4GMNN
SCHEMBL2010638 0.76 MAP4K4 (0.40) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL2010932 0.76 KDM4E (0.43) KDM4EMMP2TSHRCYP3A4GMNN
SCHEMBL2011836 0.76 LMNA (0.40) KDM4EHTR2AHTR2CMMP2TSHR
SCHEMBL2014978 0.75 KDM4E (0.46) PIK3CDPDE4AKDM4EBCHEACHE
SCHEMBL2012263 0.74 PIK3CD (0.56) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL2013295 0.74 PIK3CD (0.53) PIK3CDLMNAHTTSMN1; SMN2CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed