SCHEMBL1672863

SCHEMBL1672863

Cc1noc(C)c1-c1c(-c2ccc(N)cc2)cn(C)c1C(N)=NO

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.38
BRD2 P25440 2/20 0.37
MLYCD O95822 1/20 0.36
JAK2 O60674 1/20 0.34
CREBBP Q92793 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
TDO2 P48775 1/20 0.33
BRAF P15056 1/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
AR P10275 1/20 0.32
BRD3 Q15059 1/20 0.32
ERN1 O75460 1/20 0.32
BTK Q06187 1/20 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
SCHEMBL1672861 1.00 BRD4 (0.38) BRD4BRD2MLYCDJAK2CREBBP
SCHEMBL1672805 0.91 BRD4 (0.38) BRD4BRD2MLYCDCREBBPBRAF
SCHEMBL1672807 0.91 BRD4 (0.38) BRD4BRD2MLYCDCREBBPBRAF
SCHEMBL1672787 0.83 ERN1 (0.38) BRD4BRD2MLYCDBRD3ERN1
SCHEMBL1672789 0.83 ERN1 (0.38) BRD4BRD2MLYCDBRD3ERN1
SCHEMBL1672865 0.81 BRD4 (0.37) BRD4BRD2MLYCDJAK2CREBBP
SCHEMBL1670492 0.78 BRD4 (0.35) BRD4CREBBPARERN1BTK
SCHEMBL12800384 0.77 BRD4 (0.39) BRD4BRD2MLYCDCREBBPBRD3
SCHEMBL1670714 0.76 TLR8 (0.41) BRD4BRD2MLYCDCREBBP
SCHEMBL1670718 0.76 TLR8 (0.41) BRD4BRD2MLYCDCREBBP

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
WO-2011042477-A1 SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO claimed
WO-2011042477-A1 SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed