SCHEMBL7019165

SCHEMBL7019165

Cc1sc2nc(N3CCC(OC(=O)O)CC3)nc(NCc3ccc(F)cc3)c2c1Cl

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.45
CTNNB1 P35222 19/20 0.43
TCF7L2 Q9NQB0 19/20 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
SCHEMBL7013850 0.93 EPHX2 (0.43) HRH4CTNNB1TCF7L2
SCHEMBL7012724 0.92 GAA (0.45) HRH4CTNNB1TCF7L2
SCHEMBL7013874 0.92 KDM4E (0.43) HRH4CTNNB1TCF7L2
SCHEMBL8172354 0.90 PDE4A (0.46) HRH4CTNNB1TCF7L2
SCHEMBL7018489 0.90 PDE4A (0.39) HRH4CTNNB1TCF7L2
SCHEMBL7019915 0.88 PDE5A (0.42)
SCHEMBL8184122 0.87 ALDH1A1 (0.45) HRH4CTNNB1TCF7L2
SCHEMBL7018507 0.87 PDE5A (0.48)
SCHEMBL7017154 0.86 PDE4A (0.54) CTNNB1TCF7L2
SCHEMBL7014878 0.86 PDE4A (0.49) CTNNB1TCF7L2

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