SCHEMBL7018675

SCHEMBL7018675

CCOC(=O)OC1CCN(c2nc(NCc3cccc([N+](=O)[O-])c3)c3cc(C(F)(F)F)sc3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 17/20 0.43
KCNH2 Q12809 7/20 0.39
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL7013401 0.92 MET (0.40) METKCNH2
SCHEMBL7018702 0.92 JAK2 (0.39) METJAK2JAK3PTK2KMT2A
SCHEMBL7015708 0.91 MET (0.39) METJAK2JAK3PTK2
SCHEMBL8181963 0.90 MET (0.44) METKCNH2TSHRKMT2AEPHX2
SCHEMBL7018514 0.90 MET (0.38) METJAK2JAK3PTK2
SCHEMBL7015295 0.90 MET (0.40) METKCNH2JAK2JAK3PTK2
SCHEMBL7018883 0.89 CTNNB1 (0.42)
SCHEMBL8178194 0.86 PDE4A (0.43) METKCNH2TSHRKMT2A
SCHEMBL7014936 0.86 CTNNB1 (0.47)
SCHEMBL7013933 0.86 APP (0.39) KMT2A

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