SCHEMBL38098

SCHEMBL38098

Cc1c(C(=O)NC#N)sc2nc(Cc3cccc(Cl)c3)[nH]c(=O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.56
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPT P10636 5/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
THRB P10828 1/20 0.47
PIP4K2A P48426 1/20 0.47
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PDE9A O76083 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
HPGD P15428 1/20 0.43
MEN1 O00255 4/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL37691 0.88 MAPT (0.50) PDE5AKMT2AALDH1A1KDM4EMAPT
SCHEMBL3492352 0.85 PDE5A (0.69) PDE5AKMT2AALDH1A1KDM4EMAPT
SCHEMBL37738 0.85 PDE5A (0.56) PDE5AKMT2AALDH1A1KDM4EMAPT
SCHEMBL37776 0.84 PDE5A (0.61) PDE5AKMT2AALDH1A1KDM4EMAPT
SCHEMBL3492211 0.84 PDE5A (0.67) PDE5AKMT2AALDH1A1KDM4EMAPT
SCHEMBL38176 0.84 PDE5A (0.73) PDE5AKMT2AALDH1A1KDM4EMAPT
SCHEMBL3492213 0.83 PDE5A (0.60) PDE5AKMT2AALDH1A1KDM4EMAPT
SCHEMBL4518642 0.82 PIP4K2A (0.66) PDE5AKMT2AALDH1A1KDM4EMAPT
SCHEMBL37886 0.80 PDE5A (0.59) PDE5AKMT2AALDH1A1KDM4EPDE9A
SCHEMBL38530 0.78 PDE5A (0.73) PDE5AKMT2AKDM4EMAPTRAB9A

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-2012004900-A1 THIENOPYRIMIDINE COMPOUNDS ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 WO disclosed