SCHEMBL5593124

SCHEMBL5593124

COc1cc(F)c(-c2c(C#N)nc3ncnn3c2NCC(C)C)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
HTT P42858 3/20 0.34
LMNA P02545 3/20 0.34
MBOAT4 Q96T53 1/20 0.33
GAA P10253 3/20 0.33
CYP1A2 P05177 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
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

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
SCHEMBL5593361 0.88 EGLN2 (0.40) EGLN2HTTMBOAT4GAATSHR
SCHEMBL5593214 0.87 MBOAT4 (0.38) EGLN2SMN1; SMN2HTTLMNAMBOAT4
SCHEMBL5593411 0.87 SMN1; SMN2 (0.41) SMN1; SMN2HTTLMNAMBOAT4CYP1A2
SCHEMBL5593367 0.87 SMN1; SMN2 (0.36) SMN1; SMN2HTTLMNACYP1A2GRM8
SCHEMBL5593270 0.86 EGLN2 (0.34) EGLN2SMN1; SMN2HTTLMNAMBOAT4
SCHEMBL5593059 0.86 EGLN2 (0.35) EGLN2SMN1; SMN2HTTLMNAMBOAT4
SCHEMBL5593497 0.86 MBOAT4 (0.36) SMN1; SMN2HTTLMNAMBOAT4CYP1A2
SCHEMBL5593384 0.84 EGLN2 (0.34) EGLN2SMN1; SMN2HTTLMNAMBOAT4
SCHEMBL5593152 0.84 CYP1A2 (0.36) EGLN2SMN1; SMN2HTTLMNAMBOAT4
SCHEMBL5593140 0.84 CYP1A2 (0.35) EGLN2SMN1; SMN2HTTLMNAMBOAT4

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