SCHEMBL5593433

SCHEMBL5593433

Cc1cc(F)c(-c2c(C#N)nc3ncnn3c2NC2CCCCC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 8/20 0.39
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
PDE2A O00408 3/20 0.34
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNH2 Q12809 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
SCHEMBL5593197 0.99 EGLN2 (0.40) EGLN2ALDH1A1TSHRKDM4EHPGD
SCHEMBL5593478 0.95 EGLN2 (0.41) EGLN2ALDH1A1TSHRPDE2AALOX15
SCHEMBL5593414 0.88 MAPT (0.38) EGLN2ALDH1A1TSHRKDM4EHPGD
SCHEMBL5593106 0.87 TSHR (0.38) ALDH1A1TSHRCDK2GSK3BPDE2A
SCHEMBL5593450 0.87 MAPT (0.39) EGLN2CDK2GSK3BPDE2AMEN1
SCHEMBL5593138 0.86 MAPK1 (0.39) TSHRCDK2GSK3BPDE2AALOX15
SCHEMBL5593267 0.85 CDK2 (0.35) ALDH1A1TSHRCDK2GSK3BPDE2A
SCHEMBL5593251 0.84 TSHR (0.35) EGLN2ALDH1A1TSHRCDK2GSK3B
SCHEMBL5593468 0.84 CDK2 (0.34) EGLN2TSHRCDK2GSK3BPDE2A
SCHEMBL5593402 0.83 EGLN2 (0.39) EGLN2HPGDPDE2A

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