SCHEMBL4666569

SCHEMBL4666569

CC1CC2C(C1)N2c1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
GLA P06280 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE2A O00408 7/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
ENPP1 P22413 2/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 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
SCHEMBL4820822 0.86 TSHR (0.39) TSHRGLANPSR1PDE2AALDH1A1
SCHEMBL4667797 0.85 GLA (0.39) TSHRGLANPSR1PDE2AALDH1A1
SCHEMBL344327 0.84 TSHR (0.46) TSHRGLANPSR1PDE2AALDH1A1
SCHEMBL4666594 0.84 TSHR (0.37) TSHRGLANPSR1PDE2AALDH1A1
SCHEMBL4667804 0.83 PDE2A (0.37) TSHRGLANPSR1PDE2AALDH1A1
SCHEMBL4665974 0.82 PDE2A (0.39) TSHRGLANPSR1PDE2AALDH1A1
SCHEMBL4665970 0.82 PDE2A (0.37) TSHRGLANPSR1PDE2AALDH1A1
SCHEMBL4666576 0.81 PDE2A (0.40) TSHRGLANPSR1PDE2AALDH1A1
SCHEMBL4668079 0.81 PDE2A (0.39) TSHRGLANPSR1PDE2AALDH1A1
SCHEMBL8912954 0.80 PDE2A (0.43) TSHRGLANPSR1PDE2A

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