SCHEMBL29092145

SCHEMBL29092145

Cc1c(C(N)=O)nn(C(C)c2ccc(C(F)(F)F)cc2)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 17/20 0.44
PDE9A O76083 1/20 0.39
BRD4 O60885 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38

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
SCHEMBL29092133 1.00 PDE2A (0.44) PDE2APDE9ABRD4PTGDR2
SCHEMBL29092513 0.86 BRD4 (0.43) BRD4
SCHEMBL29092907 0.86 BRD4 (0.43) BRD4
SCHEMBL28339300 0.83 KDM4E (0.42) BRD4
SCHEMBL28339299 0.83 KDM4E (0.42) BRD4
Hydrochloric Acid SCHEMBL29092597 0.82 KDM4E (0.41) BRD4
SCHEMBL18282858 0.75 PDE2A (0.49) PDE2APDE9ABRD4PTGDR2
SCHEMBL18283158 0.74 PDE2A (0.61) PDE2A
SCHEMBL18282813 0.74 PDE2A (0.61) PDE2A
SCHEMBL18282811 0.74 PDE2A (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110582485-B Pyrazole derivatives as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2023-10-13 CN claimed