SCHEMBL5593507

SCHEMBL5593507

COc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC2CCCCC2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.38
PDE2A O00408 5/20 0.36
PDGFRB P09619 3/20 0.35
PDGFRA P16234 3/20 0.35
RPS6KA2 Q15349 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 3/20 0.34
MBOAT4 Q96T53 2/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
CYP1A2 P05177 1/20 0.33
ALOX5 P09917 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 0.99 PDE2A (0.37) BCL6PDE2APDGFRBPDGFRARPS6KA2
SCHEMBL5593148 0.95 PDE2A (0.36) PDE2ASMN1; SMN2KMT2AMBOAT4MEN1
SCHEMBL5593435 0.90 PDE2A (0.37) BCL6PDE2APDGFRBPDGFRARPS6KA2
SCHEMBL5593523 0.89 PDE2A (0.39) BCL6PDE2APDGFRBPDGFRASMN1; SMN2
SCHEMBL5593351 0.89 PDE2A (0.37) BCL6PDE2APDGFRBPDGFRARPS6KA2
SCHEMBL5593267 0.87 CDK2 (0.35) PDE2AKMT2ACDK2GSK3B
SCHEMBL5593251 0.86 TSHR (0.35) PDE2AKMT2ACDK2GSK3B
SCHEMBL5593414 0.86 MAPT (0.38) PDE2APDGFRBPDGFRARPS6KA2SMN1; SMN2
SCHEMBL5593450 0.85 MAPT (0.39) PDE2ARPS6KA2SMN1; SMN2KMT2AMEN1
SCHEMBL5593060 0.84 CYP1A2 (0.39) PDE2ASMN1; SMN2KMT2AMEN1NPC1

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