SCHEMBL5593370

SCHEMBL5593370

CCC(C)Nc1c(-c2cc(F)c(C)cc2F)c(C#N)nc2ncnn12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 9/20 0.40
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 2/20 0.35
MAPK1 P28482 2/20 0.34
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MBOAT4 Q96T53 2/20 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
SCHEMBL5593336 0.88 EGLN2 (0.41) EGLN2MEN1ALDH1A1GAAGFER
SCHEMBL5593270 0.88 EGLN2 (0.34) EGLN2MEN1ALDH1A1GAAGFER
SCHEMBL5593434 0.87 MAPK1 (0.40) EGLN2MEN1ALDH1A1KMT2AHTT
SCHEMBL5593444 0.86 EGLN2 (0.40) EGLN2MEN1ALDH1A1GAAGFER
SCHEMBL5593442 0.86 EGLN2 (0.40) EGLN2MEN1ALDH1A1GAAGFER
SCHEMBL5593361 0.85 EGLN2 (0.40) EGLN2MEN1ALDH1A1GAAGFER
SCHEMBL5593210 0.85 CRHR1 (0.36) EGLN2MEN1ALDH1A1GAAGFER
SCHEMBL5593494 0.83 CRHR1 (0.37) EGLN2MEN1ALDH1A1KMT2AHTT
SCHEMBL5593229 0.82 MBOAT4 (0.41) EGLN2MEN1ALDH1A1GAAGFER
SCHEMBL5593478 0.80 EGLN2 (0.41) EGLN2MEN1ALDH1A1GAAGFER

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 1 patent. 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