SCHEMBL5593152

SCHEMBL5593152

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
EGLN2 Q96KS0 4/20 0.34
GRM8 O00222 1/20 0.34
GRM7 Q14831 1/20 0.34
GRM4 Q14833 1/20 0.34
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
MBOAT4 Q96T53 5/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 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
SCHEMBL5593384 0.93 EGLN2 (0.34) CYP1A2EGLN2GRM8GRM7GRM4
SCHEMBL5593059 0.89 EGLN2 (0.35) CYP1A2EGLN2GRM8GRM7GRM4
SCHEMBL5593444 0.88 EGLN2 (0.40) EGLN2ABL1MBOAT4ALDH1A1MEN1
SCHEMBL5593270 0.87 EGLN2 (0.34) CYP1A2EGLN2GRM8GRM7GRM4
SCHEMBL5593503 0.87 CYP1A2 (0.38) CYP1A2GRM8GRM7GRM4ABL1
SCHEMBL5593188 0.87 CYP1A2 (0.42) CYP1A2GRM8GRM7GRM4ABL1
SCHEMBL5593124 0.84 EGLN2 (0.35) CYP1A2EGLN2GRM8GRM7GRM4
SCHEMBL5593214 0.84 MBOAT4 (0.38) CYP1A2EGLN2GRM8GRM7GRM4
SCHEMBL5593402 0.81 EGLN2 (0.39) CYP1A2EGLN2HPGD
SCHEMBL5593140 0.81 CYP1A2 (0.35) CYP1A2EGLN2GRM8GRM7GRM4

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