SCHEMBL4667822

SCHEMBL4667822

CC1C2CC1CN(c1c(-c3c(F)cc(F)cc3F)c(Cl)nc3ncnn13)C2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE2A O00408 6/20 0.34
TSHR P16473 2/20 0.34
GLA P06280 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4666012 0.93 MAPK1 (0.34) MAPK1GAAL3MBTL1PDE2ATSHR
SCHEMBL4667784 0.89 GAA (0.35) MAPK1GAAL3MBTL1PDE2ATSHR
SCHEMBL4665967 0.86 PDE2A (0.35) MAPK1GAAPDE2ATSHRGLA
SCHEMBL4666615 0.86 PDE2A (0.35) GAAPDE2ATSHRGLANPSR1
SCHEMBL4667880 0.85 PDE2A (0.35) MAPK1GAAL3MBTL1PDE2ATSHR
SCHEMBL4665974 0.85 PDE2A (0.39) GAAL3MBTL1PDE2ATSHRGLA
SCHEMBL81282 0.84 TSHR (0.41) GAAL3MBTL1PDE2ATSHRGLA
SCHEMBL14416878 0.83 PDE2A (0.37) GAAL3MBTL1PDE2ATSHRGLA
SCHEMBL20439999 0.83 EGLN2 (0.42) GAAL3MBTL1PDE2ATSHRGLA
SCHEMBL974937 0.81 KDM1A (0.39) MAPK1GAAPDE2ATSHRGLA

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
EP-1980150-A1 Fungicidal mixtures based on triazolopyrimidine compounds BASF SE (DE) 2008-10-15 EP claimed
WO-2006100037-A1 TRIAZOLOPYRIMIDINE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-09-28 WO disclosed