SCHEMBL5593336

SCHEMBL5593336

Cc1cc(F)c(-c2c(C#N)nc3ncnn3c2NC(C)C(C)C)cc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 13/20 0.41
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.32
MBOAT4 Q96T53 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
SCHEMBL5593442 0.90 EGLN2 (0.40) EGLN2ALDH1A1GAAMEN1GFER
SCHEMBL5593444 0.88 EGLN2 (0.40) EGLN2ALDH1A1GAAMEN1GFER
SCHEMBL5593370 0.88 EGLN2 (0.40) EGLN2ALDH1A1GAAMEN1GFER
SCHEMBL5593059 0.87 EGLN2 (0.35) EGLN2ALDH1A1GAAMEN1GFER
SCHEMBL5593145 0.86 MAPK1 (0.40) EGLN2ALDH1A1MEN1KMT2AMAPK1
SCHEMBL5593361 0.85 EGLN2 (0.40) EGLN2ALDH1A1GAAMEN1GFER
SCHEMBL5593343 0.83 MAPK1 (0.35) EGLN2ALDH1A1GAAMEN1GFER
SCHEMBL5593478 0.82 EGLN2 (0.41) EGLN2ALDH1A1GAAMEN1GFER
SCHEMBL5593229 0.81 MBOAT4 (0.41) EGLN2ALDH1A1GAAMEN1GFER
SCHEMBL5593197 0.80 EGLN2 (0.40) EGLN2ALDH1A1GAAMEN1GFER

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 disclosed