SCHEMBL4667784

SCHEMBL4667784

CC1C2CN(c3c(-c4c(F)cc(F)cc4F)c(Cl)nc4ncnn34)CC12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE2A O00408 11/20 0.35
TSHR P16473 2/20 0.35
GLA P06280 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.33
MEN1 O00255 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
SCHEMBL4667822 0.89 MAPK1 (0.34) GAAL3MBTL1PDE2ATSHRGLA
SCHEMBL4666012 0.86 MAPK1 (0.34) GAAL3MBTL1PDE2ATSHRGLA
SCHEMBL81282 0.85 TSHR (0.41) GAAL3MBTL1PDE2ATSHRGLA
SCHEMBL14416878 0.85 PDE2A (0.37) GAAL3MBTL1PDE2ATSHRGLA
SCHEMBL20439999 0.85 EGLN2 (0.42) GAAL3MBTL1PDE2ATSHRGLA
SCHEMBL4667880 0.84 PDE2A (0.35) GAAL3MBTL1PDE2ATSHRGLA
SCHEMBL4666576 0.84 PDE2A (0.40) GAAL3MBTL1PDE2ATSHRGLA
SCHEMBL974937 0.83 KDM1A (0.39) GAAPDE2ATSHRGLANPSR1
SCHEMBL974960 0.82 LMNA (0.36) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL4819802 0.82 LMNA (0.36) PDE2ATSHRGLANPSR1ALDH1A1

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 3 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
EP-1980150-A1 Fungicidal mixtures based on triazolopyrimidine compounds BASF SE (DE) 2008-10-15 EP disclosed
WO-2006100038-A1 TRIAZOLOPYRIMIDINE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-09-28 WO disclosed