SCHEMBL5593409

SCHEMBL5593409

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

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 18/20 0.42
EGLN2 Q96KS0 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL5593221 0.97 PDE2A (0.39) PDE2AEGLN2CYP1A2
SCHEMBL5593245 0.91 PDE2A (0.40) PDE2AEGLN2CYP1A2
SCHEMBL5593335 0.90 PDE2A (0.39) PDE2AEGLN2
SCHEMBL5593488 0.88 PDE2A (0.41) PDE2AEGLN2
SCHEMBL5593454 0.88 PDE2A (0.38) PDE2AEGLN2CYP1A2
SCHEMBL5593131 0.87 EGLN2 (0.44) PDE2AEGLN2
SCHEMBL5593485 0.87 PDE2A (0.37) PDE2AEGLN2CYP1A2
SCHEMBL5593364 0.85 LMNA (0.42) PDE2ACYP1A2
SCHEMBL5593226 0.85 PDE2A (0.39) PDE2AEGLN2
SCHEMBL5593098 0.85 PDE2A (0.44) PDE2A

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