SCHEMBL7039211

SCHEMBL7039211

CC(C)n1nc(-c2c(C=C3CCSC3)nn3ccccc23)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.37
PDE5A O76074 5/20 0.37
PDE3A Q14432 5/20 0.36
ADORA1 P30542 1/20 0.32
BMPR1B O00238 1/20 0.30
BMPR1A P36894 1/20 0.30
TGFBR1 P36897 1/20 0.30
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 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
SCHEMBL7042107 0.94 PDE4B (0.39) PDE4BPDE5APDE3AADORA1BMPR1B
SCHEMBL7148863 0.87 PDE4B (0.40) PDE4BPDE5APDE3AADORA1
SCHEMBL7036668 0.87 PDE4B (0.40) PDE4BPDE5APDE3AADORA1
SCHEMBL7034665 0.86 PDE4B (0.40) PDE4BPDE5APDE3AADORA1
SCHEMBL7039569 0.86 PDE4B (0.40) PDE4BPDE5APDE3AADORA1
SCHEMBL7041201 0.86 PDE4B (0.40) PDE4BPDE5APDE3AADORA1
SCHEMBL7151884 0.84 PDE4B (0.39) PDE4BPDE5APDE3AADORA1
SCHEMBL7038848 0.81 PDE5A (0.43) PDE4BPDE5APDE3AADORA1
SCHEMBL7040393 0.80 PDE5A (0.44) PDE4BPDE5APDE3AADORA1
SCHEMBL7038305 0.78 PDE4B (0.39) PDE4BPDE5APDE3AADORA1

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-2003004494-A1 PYRIDAZINONE COMPOUND AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-16 WO disclosed