SCHEMBL7020121

SCHEMBL7020121

Cc1sc2nc(N3CCC(OC(=O)O)CC3)nc(NCc3ccc(Cl)c(Cl)c3)c2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE5A O76074 5/20 0.39
CCR2 P41597 1/20 0.38
PDE2A O00408 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
CHRM4 P08173 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL7018489 0.94 PDE4A (0.39) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL7020191 0.92 PDE5A (0.48) PDE5A
SCHEMBL7015004 0.91 KMT2A (0.44) GAARXFP1KMT2AKDM4EALDH1A1
SCHEMBL8180295 0.89 PDE4A (0.49) GAARXFP1KDM4EALDH1A1LMNA
SCHEMBL7012724 0.88 GAA (0.45) GAARXFP1KDM4EALDH1A1LMNA
SCHEMBL7012162 0.88 ALDH1A1 (0.44) GAARXFP1KMT2AKDM4EALDH1A1
SCHEMBL7013393 0.88 PDE4A (0.46) GAARXFP1KMT2AKDM4EALDH1A1
SCHEMBL7015293 0.88 TP53 (0.41) GAARXFP1KDM4EALDH1A1LMNA
SCHEMBL7018352 0.87 ESR1 (0.44) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7021049 0.86 PDE4A (0.51) GAARXFP1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 WO disclosed