SCHEMBL6993017

SCHEMBL6993017

COc1cc(F)c(-c2c(Cl)nc3ncnn3c2[C@H]2CC[C@@H](F)CC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 14/20 0.39
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.33
MBOAT4 Q96T53 2/20 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
SCHEMBL6992986 1.00 PDE2A (0.39) PDE2ASMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL4819372 1.00 PDE2A (0.39) PDE2ASMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL13920314 0.91 PDE2A (0.43) PDE2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL13920303 0.91 PDE2A (0.43) PDE2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL4811909 0.91 PDE2A (0.43) PDE2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6993988 0.88 PDE2A (0.39) PDE2ASMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL6993982 0.88 PDE2A (0.39) PDE2ASMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL7001331 0.88 PDE2A (0.39) PDE2ASMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL6989522 0.88 PDE2A (0.40) PDE2A
SCHEMBL6989520 0.88 PDE2A (0.40) PDE2A

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 9 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
EP-1054888-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-11-29 EP claimed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US claimed
WO-1999041255-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1999-08-19 WO 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