SCHEMBL19480643

SCHEMBL19480643

NCc1nn(Cc2ccccc2F)c2ncc(F)cc12

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.58
BTK Q06187 1/20 0.43
GUCY1A1 Q02108 1/20 0.41
GUCY1B1 Q02153 1/20 0.41

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
SCHEMBL14754711 0.89 PDE5A (0.51) PDE5AGUCY1A1GUCY1B1
SCHEMBL20433793 0.89 PDE5A (0.48) PDE5ABTKGUCY1A1GUCY1B1
SCHEMBL29011924 0.86 PDE5A (0.49) PDE5ABTKGUCY1A1GUCY1B1
SCHEMBL174461 0.83 PDE5A (0.52) PDE5AGUCY1A1GUCY1B1
SCHEMBL19151780 0.83 PDE5A (0.50) PDE5A
SCHEMBL29219273 0.83 PDE5A (0.49) PDE5A
SCHEMBL29219198 0.83 PDE5A (0.49) PDE5AGUCY1A1GUCY1B1
SCHEMBL22906078 0.82 PDE5A (0.47) PDE5ABTKGUCY1A1GUCY1B1
SCHEMBL19312309 0.82 PDE5A (0.49) PDE5ABTK
SCHEMBL9913932 0.81 PDE5A (0.46) PDE5ABTKGUCY1A1GUCY1B1

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
EP-2751106-B1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER IP GMBH (DE) 2017-10-18 EP disclosed