SCHEMBL5593147

SCHEMBL5593147

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CYP1A2 P05177 1/20 0.35
MAPK8 P45983 1/20 0.35
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
EGLN2 Q96KS0 1/20 0.33
GRM8 O00222 1/20 0.33
GRM7 Q14831 1/20 0.33
GRM4 Q14833 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
EHMT1 Q9H9B1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL5593351 0.96 PDE2A (0.37) PDE2AIRAK4CYP1A2HPGDSMN1; SMN2
SCHEMBL5593435 0.95 PDE2A (0.37) PDE2ACYP1A2HPGDALDH1A1HTT
SCHEMBL5593259 0.90 MAPK1 (0.35) PDE2AHPGDSMN1; SMN2EGLN2MAPK1
SCHEMBL5593060 0.90 CYP1A2 (0.39) PDE2AIRAK4CYP1A2HPGDSMN1; SMN2
SCHEMBL5593148 0.89 PDE2A (0.36) PDE2AIRAK4CYP1A2HPGDSMN1; SMN2
SCHEMBL5593402 0.86 EGLN2 (0.39) PDE2AIRAK4CYP1A2HPGDEGLN2
SCHEMBL5593523 0.86 PDE2A (0.39) PDE2ACYP1A2HPGDSMN1; SMN2LMNA
SCHEMBL5593258 0.86 ALOX15 (0.34) PDE2AEGLN2MAPK1
SCHEMBL5593123 0.85 PDE2A (0.37) PDE2ACYP1A2
SCHEMBL5593468 0.85 CDK2 (0.34) PDE2AEGLN2MAPK1

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