SCHEMBL4666594

SCHEMBL4666594

CC1CC2C(C1)N2c1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
PDE2A O00408 7/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.30

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
SCHEMBL4666569 0.84 TSHR (0.41) TSHRGLANPSR1ALDH1A1KMT2A
SCHEMBL4669016 0.84 PDE2A (0.35) TSHRGLANPSR1ALDH1A1KMT2A
SCHEMBL81282 0.83 TSHR (0.41) TSHRGLANPSR1ALDH1A1KMT2A
SCHEMBL4665967 0.82 PDE2A (0.35) TSHRGLANPSR1ALDH1A1KMT2A
SCHEMBL5806166 0.81 PDE2A (0.35) TSHRGLANPSR1ALDH1A1KMT2A
SCHEMBL23943801 0.81 PDE2A (0.36) TSHRGLANPSR1ALDH1A1KMT2A
SCHEMBL4665963 0.81 PDE2A (0.34) TSHRGLANPSR1ALDH1A1KMT2A
SCHEMBL20439999 0.81 EGLN2 (0.42) TSHRGLANPSR1ALDH1A1PDE2A
SCHEMBL4667822 0.81 MAPK1 (0.34) TSHRGLANPSR1ALDH1A1KMT2A
SCHEMBL23943802 0.81 PDE2A (0.34) TSHRGLANPSR1ALDH1A1KMT2A

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-2006100038-A1 TRIAZOLOPYRIMIDINE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-09-28 WO disclosed