SCHEMBL6996530

SCHEMBL6996530

OC1CC(c2c(-c3c(F)cc(F)cc3F)c(Cl)nc3ncnn23)CCC1Cl

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 18/20 0.35
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 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
SCHEMBL4820670 0.83 PDE2A (0.36) PDE2AALDH1A1POLBTSHRKMT2A
SCHEMBL974313 0.82 PDE2A (0.38) PDE2AALDH1A1POLBTSHRKMT2A
SCHEMBL973762 0.82 PDE2A (0.41) PDE2A
SCHEMBL6997129 0.81 PDE2A (0.38) PDE2A
SCHEMBL4816931 0.78 PDE2A (0.35) PDE2AALDH1A1POLBTSHRKMT2A
SCHEMBL6995451 0.77 PDE2A (0.39) PDE2A
SCHEMBL6992974 0.74 PDE2A (0.35) PDE2AALDH1A1POLBTSHRKMT2A
SCHEMBL7000273 0.74 PDE2A (0.35) PDE2AALDH1A1POLBTSHRKMT2A
SCHEMBL6992980 0.74 PDE2A (0.35) PDE2AALDH1A1POLBTSHRKMT2A
SCHEMBL7821613 0.73 PDE2A (0.38) PDE2AALDH1A1TSHR

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