SCHEMBL17337229

SCHEMBL17337229

CCOc1c(CCN=[N+]=[N-])cc(Cl)c(F)c1C1CNC(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.47
KCNH2 Q12809 1/20 0.47
PDE4A P27815 2/20 0.36

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
SCHEMBL14742491 0.86 PIK3CD (0.51) PIK3CDKCNH2PDE4A
SCHEMBL18038541 0.86 PIK3CD (0.51) PIK3CDKCNH2PDE4A
SCHEMBL14742248 0.86 PIK3CD (0.51) PIK3CDKCNH2PDE4A
SCHEMBL25642975 0.86 PIK3CD (0.54) PIK3CDKCNH2PDE4A
SCHEMBL25643004 0.86 PIK3CD (0.54) PIK3CDKCNH2PDE4A
SCHEMBL17337252 0.85 PIK3CD (0.52) PIK3CDKCNH2PDE4A
SCHEMBL17333047 0.82 PIK3CD (0.55) PIK3CDKCNH2PDE4A
SCHEMBL18038542 0.81 PIK3CD (0.47) PIK3CDKCNH2PDE4A
SCHEMBL18042425 0.80 PIK3CD (0.46) PIK3CDKCNH2PDE4A
SCHEMBL18038537 0.79 PIK3CD (0.47) PIK3CDKCNH2PDE4A

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-2015191677-A1 BICYCLIC HETEROARYLAMINOALKYL PHENYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2015-12-17 WO disclosed