SCHEMBL5593367

SCHEMBL5593367

COc1cc(F)c(-c2c(OC)nc3ncnn3c2NCC(C)C)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.36
HTT P42858 4/20 0.36
LMNA P02545 4/20 0.36
CYP1A2 P05177 3/20 0.35
GRM8 O00222 1/20 0.35
GRM7 Q14831 1/20 0.35
GRM4 Q14833 1/20 0.35
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
TSHR P16473 4/20 0.34
HPGD P15428 3/20 0.34

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
SCHEMBL5593411 0.90 SMN1; SMN2 (0.41) SMN1; SMN2HTTLMNACYP1A2GRM8
SCHEMBL5593386 0.90 SMN1; SMN2 (0.35) SMN1; SMN2HTTLMNACYP1A2TSHR
SCHEMBL5593497 0.89 MBOAT4 (0.36) SMN1; SMN2HTTLMNACYP1A2GRM8
SCHEMBL5593124 0.87 EGLN2 (0.35) SMN1; SMN2HTTLMNACYP1A2GRM8
SCHEMBL5593340 0.86 CYP1A2 (0.39) SMN1; SMN2HTTLMNACYP1A2GRM8
SCHEMBL5593068 0.85 GRM8 (0.36) SMN1; SMN2HTTLMNACYP1A2GRM8
SCHEMBL5593077 0.85 CYP1A2 (0.35) SMN1; SMN2HTTLMNACYP1A2GRM8
SCHEMBL5593105 0.83 CYP1A2 (0.36) SMN1; SMN2HTTLMNACYP1A2GRM8
SCHEMBL5593503 0.83 CYP1A2 (0.38) SMN1; SMN2HTTLMNACYP1A2GRM8
SCHEMBL5593397 0.83 CYP1A2 (0.37) SMN1; SMN2HTTLMNACYP1A2GRM8

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