SCHEMBL5593384

SCHEMBL5593384

COc1cc(F)c(-c2c(C#N)nc3ncnn3c2NC(C)C(C)(C)C)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 4/20 0.34
CYP1A2 P05177 1/20 0.34
GRM8 O00222 1/20 0.33
GRM7 Q14831 1/20 0.33
GRM4 Q14833 1/20 0.33
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
EPHB4 P54760 1/20 0.32
PRKDC P78527 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
PLK1 P53350 1/20 0.31

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
SCHEMBL5593152 0.93 CYP1A2 (0.36) EGLN2CYP1A2GRM8GRM7GRM4
SCHEMBL5593059 0.91 EGLN2 (0.35) EGLN2CYP1A2GRM8GRM7GRM4
SCHEMBL5593442 0.88 EGLN2 (0.40) EGLN2HTTMBOAT4ALDH1A1MEN1
SCHEMBL5593270 0.87 EGLN2 (0.34) EGLN2CYP1A2GRM8GRM7GRM4
SCHEMBL5593039 0.87 CYP1A2 (0.40) CYP1A2GRM8GRM7GRM4ABL1
SCHEMBL5593105 0.87 CYP1A2 (0.36) CYP1A2GRM8GRM7GRM4ABL1
SCHEMBL4818746 0.86 MBOAT4 (0.36) CYP1A2GRM8GRM7GRM4ABL1
SCHEMBL5593124 0.84 EGLN2 (0.35) EGLN2CYP1A2GRM8GRM7GRM4
SCHEMBL5593214 0.83 MBOAT4 (0.38) EGLN2CYP1A2GRM8GRM7GRM4
SCHEMBL5593402 0.81 EGLN2 (0.39) EGLN2CYP1A2HPGD

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