SCHEMBL5593335

SCHEMBL5593335

COc1cc(F)c(-c2c(Cl)nc3ncnn3c2N2CCCC2C)cc1F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 18/20 0.39
EGLN2 Q96KS0 1/20 0.38
PDE3A Q14432 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL5593485 0.97 PDE2A (0.37) PDE2AEGLN2S1PR1
SCHEMBL5593409 0.90 PDE2A (0.42) PDE2AEGLN2
SCHEMBL5593245 0.90 PDE2A (0.40) PDE2AEGLN2PDE3A
SCHEMBL5593283 0.88 PDE2A (0.40) PDE2AEGLN2
SCHEMBL5593221 0.87 PDE2A (0.39) PDE2AEGLN2S1PR1
SCHEMBL5593454 0.87 PDE2A (0.38) PDE2AEGLN2PDE3AS1PR1
SCHEMBL5593131 0.86 EGLN2 (0.44) PDE2AEGLN2S1PR1
SCHEMBL5593288 0.86 PDE2A (0.39) PDE2AEGLN2
SCHEMBL5593324 0.85 PDE2A (0.42) PDE2A
SCHEMBL5593261 0.85 PDE2A (0.38) PDE2AEGLN2S1PR1

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-2007099092-A1 SUBSTITUTED 6-PHENYL-7-AMINO[1,2,4]-TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2007-09-07 WO claimed