SCHEMBL2051072

SCHEMBL2051072

Fc1cc(CCNc2ncnc3[nH]cnc23)c(N2CCN(C3CCC3)CC2)c2ncccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.35
LMNA P02545 4/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FGFR2 P21802 1/20 0.33
HTT P42858 3/20 0.33
HIF1A Q16665 1/20 0.33
HRH1 P35367 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ACHE P22303 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.32
GFER P55789 1/20 0.32
RAD52 P43351 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
ADRA2A P08913 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
SCHEMBL2013539 0.85 LMNA (0.33) LMNAALDH1A1HTTMAPK1SMN1; SMN2
SCHEMBL2013535 0.85 LMNA (0.33) LMNAALDH1A1HTTMAPK1SMN1; SMN2
SCHEMBL2016538 0.82 PIK3CD (0.38) HTR1ALMNAALDH1A1KDM4EGLA
SCHEMBL2018094 0.81 HTR1A (0.43) HTR1ALMNAALDH1A1KDM4EGLA
SCHEMBL2017050 0.79 SLC40A1 (0.40) LMNAALDH1A1KDM4ENPSR1HTT
SCHEMBL2013366 0.78 CCR4 (0.37) LMNAALDH1A1NPSR1HTTMAPK1
SCHEMBL2016811 0.77 METAP2 (0.34) LMNAALDH1A1KDM4ENPSR1HTT
SCHEMBL2051951 0.76 PIK3CD (0.35) LMNAALDH1A1KDM4ENPSR1HTT
SCHEMBL2012932 0.76 ABCC1 (0.33) LMNAALDH1A1KDM4ENPSR1HTT
SCHEMBL2013837 0.76 BTK (0.37) LMNAALDH1A1KDM4ENPSR1HTT

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