SCHEMBL9038007

SCHEMBL9038007

C#Cc1nc(N)nc2c1CCCN2.c1cc2ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.39
KDR P35968 3/20 0.36
HRH3 Q9Y5N1 2/20 0.32
BCHE P06276 1/20 0.30
HRH2 P25021 1/20 0.30
FLT3 P36888 1/20 0.30
ADORA1 P30542 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
SCHEMBL9038000 0.75 GRM5 (0.41) UHRF1KDRBCHE
SCHEMBL9039446 0.68 UHRF1 (0.43) UHRF1KDRBCHE
SCHEMBL20109483 0.66 UHRF1 (0.45) UHRF1KDR
SCHEMBL15757188 0.65 SCN9A (0.45) HRH3BCHE
SCHEMBL9038638 0.64 MPO (0.46) UHRF1KDRBCHE
SCHEMBL15757353 0.63 NUDT1 (0.64) UHRF1HRH3BCHE
SCHEMBL18292333 0.63 HRH3 (0.56) KDRHRH3BCHEHRH2ADORA1
SCHEMBL31712947 0.61 UHRF1 (0.46) UHRF1BCHE
SCHEMBL12481059 0.60 KDR (0.45) UHRF1KDRFLT3
SCHEMBL9851400 0.60 BCHE (0.63) BCHE

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-0495982-B1 BICYCLIC PYRIMIDINE DERIVATIVE, METHOD OF PRODUCING THE SAME, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 1996-06-12 EP disclosed
US-5378700-A Against hypoxemia of respiratory diseases TEIJIN LIMITED (JP) 1995-01-03 US disclosed
EP-0495982-A1 BICYCLIC PYRIMIDINE DERIVATIVE, METHOD OF PRODUCING THE SAME, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1992-07-29 EP disclosed