SCHEMBL5593258

SCHEMBL5593258

COc1nc2ncnn2c(NC2CCCC2)c1-c1cc(F)c(C)cc1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
PDE2A O00408 8/20 0.34
POLB P06746 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
EGLN2 Q96KS0 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
SCHEMBL5593468 0.99 CDK2 (0.34) ALOX15TSHRMAPK1PDE2APOLB
SCHEMBL5593259 0.96 MAPK1 (0.35) ALOX15TSHRMAPK1PDE2APOLB
SCHEMBL5593351 0.90 PDE2A (0.37) PDE2ACDK2GSK3BMEN1NPC1
SCHEMBL5593435 0.89 PDE2A (0.37) PDE2ACDK2GSK3BMEN1NPC1
SCHEMBL5593138 0.88 MAPK1 (0.39) ALOX15TSHRMAPK1PDE2APOLB
SCHEMBL5593106 0.87 TSHR (0.38) ALOX15TSHRMAPK1PDE2APOLB
SCHEMBL5593251 0.86 TSHR (0.35) ALOX15TSHRMAPK1PDE2APOLB
SCHEMBL5593147 0.86 PDE2A (0.36) MAPK1PDE2AEGLN2
SCHEMBL5593267 0.85 CDK2 (0.35) ALOX15TSHRMAPK1PDE2APOLB
SCHEMBL5593197 0.83 EGLN2 (0.40) ALOX15TSHRMAPK1PDE2ACDK2

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