SCHEMBL23912005

SCHEMBL23912005

N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccnc2)cc1-n1c2ccccc2c2cc(C#N)ccc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 13/20 0.53
CYP11B1 P15538 9/20 0.53
CYP17A1 P05093 3/20 0.53
FLT3 P36888 2/20 0.44
CYP19A1 P11511 4/20 0.40
CYP3A4 P08684 1/20 0.39
NPY5R Q15761 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
NEK1 Q96PY6 1/20 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
SCHEMBL20620091 0.89 CYP11B2 (0.49) CYP11B2CYP11B1CYP17A1FLT3CYP19A1
SCHEMBL22454896 0.88 CYP11B2 (0.55) CYP11B2CYP11B1CYP17A1FLT3CYP19A1
SCHEMBL19909044 0.87 FLT3 (0.40) CYP11B2CYP11B1CYP17A1FLT3CYP19A1
SCHEMBL20619444 0.86 CYP11B2 (0.53) CYP11B2CYP11B1CYP17A1FLT3NPY5R
SCHEMBL20937428 0.86 CYP11B2 (0.48) CYP11B2CYP11B1CYP17A1FLT3CYP19A1
SCHEMBL20937837 0.86 CYP11B2 (0.48) CYP11B2CYP11B1CYP17A1FLT3CYP19A1
SCHEMBL31273413 0.84 CYP11B2 (0.43) CYP11B2CYP11B1CYP17A1FLT3CYP19A1
SCHEMBL23912023 0.84 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1FLT3CYP19A1
SCHEMBL20620089 0.83 CYP11B2 (0.51) CYP11B2CYP11B1CYP17A1FLT3CYP19A1
SCHEMBL22253171 0.83 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1FLT3CYP19A1

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
EP-3645522-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-10-13 EP disclosed