SCHEMBL6994549

SCHEMBL6994549

CNc1nc2ncnn2c(-c2ccccc2)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 7/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 3/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.39
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE2A O00408 1/20 0.36
AURKA O14965 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36

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
SCHEMBL976567 0.84 KDM4E (0.48) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL6996981 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL973763 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL7000548 0.81 KDM4E (0.42) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL6994541 0.81 KDM4E (0.44) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL6996527 0.78 KDM4E (0.40) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL3227902 0.78 KDM4E (0.46) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL6990107 0.75 KDM4E (0.40) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL4813019 0.74 KDM4E (0.48) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL6994543 0.73 PDE2A (0.39) MAPK1PDE2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054888-B1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-11-26 EP claimed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US claimed
EP-1054888-B1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-11-26 EP disclosed
EP-1359150-A2 A process and intermediates for the preparation of fungicidal 7-alkyl-triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2003-11-05 EP disclosed
EP-1054888-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-11-29 EP disclosed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US disclosed
WO-1999041255-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1999-08-19 WO disclosed