SCHEMBL15520292

SCHEMBL15520292

Oc1[c]c(C2CC2)nc(-c2nn(Cc3ccccc3F)c3ncccc23)n1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ PDE5A O76074 16/20 0.50
▸ GUCY1A1 Q02108 2/20 0.46
▸ GUCY1B1 Q02153 2/20 0.46

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
SCHEMBL16457957 0.84 ADORA3 (0.56) ADORA3KCNH2PDE5A
SCHEMBL6218458 0.81 ADORA3 (0.61) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL12764541 0.79 ADORA3 (0.61) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL18496415 0.78 PDE5A (0.59) ADORA3KCNH2PDE5A
SCHEMBL175433 0.78 ADORA3 (0.68) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL9913977 0.78 GUCY1A1 (0.53) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL15111651 0.77 PDE5A (0.55) ADORA3KCNH2PDE5A
SCHEMBL974087 0.77 ADORA3 (0.56) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL15087495 0.77 PDE5A (0.57) ADORA3KCNH2PDE5A
SCHEMBL29378676 0.77 ADORA3 (0.56) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2708539-A1 Annulated pyrimidines and triazines and their use Bayer Intellectual Property GmbH (DE) 2014-03-19 — — EP disclosed
EP-2682394-A1 1H-pyrazolo[3,4-b]pyridin-triazine derivatives and their use for the treatment or the prevention of cardiovascular diseases Bayer Intellectual Property GmbH (DE) 2014-01-08 — — EP disclosed
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