SCHEMBL5593398

SCHEMBL5593398

COc1cc(F)c(-c2c(C)nc3ncnn3c2N2CCC(C)C2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.42
EGLN2 Q96KS0 1/20 0.38
LMNA P02545 6/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PAX2 Q02962 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5593364 0.95 LMNA (0.42) PDE2ALMNAALDH1A1CYP1A2SMN1; SMN2
SCHEMBL5593098 0.94 PDE2A (0.44) PDE2ALMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL5593163 0.91 PDE2A (0.40) PDE2AEGLN2LMNAALDH1A1CYP1A2
SCHEMBL5593390 0.90 PDE2A (0.39) PDE2AEGLN2LMNAALDH1A1CYP1A2
SCHEMBL5593201 0.88 EGLN2 (0.41) PDE2AEGLN2LMNAALDH1A1SMN1; SMN2
SCHEMBL5593273 0.86 SMN1; SMN2 (0.42) PDE2ALMNAALDH1A1CYP1A2SMN1; SMN2
SCHEMBL5593501 0.85 PDE2A (0.40) PDE2AEGLN2LMNAALDH1A1CYP1A2
SCHEMBL5593349 0.85 PDE2A (0.42) PDE2ALMNAALDH1A1NPSR1GLA
SCHEMBL5593288 0.85 PDE2A (0.39) PDE2AEGLN2LMNAALDH1A1CYP1A2
SCHEMBL5593324 0.84 PDE2A (0.42) PDE2ALMNAALDH1A1NPSR1GLA

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
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
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 disclosed