SCHEMBL5593229

SCHEMBL5593229

Cc1cc(F)c(-c2c(C#N)nc3ncnn3c2NCC(F)(F)F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.41
EGLN2 Q96KS0 10/20 0.40
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 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
SCHEMBL5593204 0.91 EGLN2 (0.38) MBOAT4EGLN2TSHRALOX15MAPK1
SCHEMBL5593214 0.88 MBOAT4 (0.38) MBOAT4EGLN2TSHRHTT
SCHEMBL5593451 0.87 MBOAT4 (0.42) MBOAT4EGLN2TSHRALOX15MAPK1
SCHEMBL5593361 0.86 EGLN2 (0.40) MBOAT4EGLN2TSHRALOX15MAPK1
SCHEMBL5593536 0.85 MBOAT4 (0.37) MBOAT4EGLN2TSHRALOX15MAPK1
SCHEMBL5593444 0.83 EGLN2 (0.40) MBOAT4EGLN2TSHRALOX15MAPK1
SCHEMBL5593248 0.83 MBOAT4 (0.36) MBOAT4EGLN2TSHRALOX15MAPK1
SCHEMBL5593442 0.82 EGLN2 (0.40) MBOAT4EGLN2TSHRALOX15MAPK1
SCHEMBL5593370 0.82 EGLN2 (0.40) MBOAT4EGLN2TSHRALOX15MAPK1
SCHEMBL5593478 0.81 EGLN2 (0.41) EGLN2TSHRALOX15MAPK1MEN1

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