SCHEMBL5593148

SCHEMBL5593148

COc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC2CC2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.36
MBOAT4 Q96T53 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
HPGD P15428 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
EHMT1 Q9H9B1 1/20 0.33
GRM8 O00222 1/20 0.33
GRM7 Q14831 1/20 0.33
GRM4 Q14833 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5593123 0.96 PDE2A (0.37) PDE2AMBOAT4MEN1NPC1KMT2A
SCHEMBL5593507 0.95 BCL6 (0.38) PDE2AMBOAT4MEN1NPC1KMT2A
SCHEMBL5593060 0.89 CYP1A2 (0.39) PDE2AIRAK4MEN1NPC1KMT2A
SCHEMBL5593147 0.89 PDE2A (0.36) PDE2AIRAK4CYP1A2HPGDEHMT2
SCHEMBL5593153 0.87 TSHR (0.36) PDE2AIRAK4MEN1KMT2AEGLN2
SCHEMBL5593402 0.85 EGLN2 (0.39) PDE2AIRAK4CYP1A2HPGDEGLN2
SCHEMBL5593351 0.85 PDE2A (0.37) PDE2AIRAK4MEN1NPC1KMT2A
SCHEMBL5593523 0.85 PDE2A (0.39) PDE2AMEN1NPC1KMT2ACYP1A2
SCHEMBL5593435 0.84 PDE2A (0.37) PDE2AMEN1NPC1KMT2ACYP1A2
SCHEMBL5593251 0.83 TSHR (0.35) PDE2AKMT2AEGLN2

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