SCHEMBL20843333

SCHEMBL20843333

N#Cc1ccc(-c2cc(-c3ccc(C#N)c(F)c3)nc(-c3ccccc3)n2)cc1F

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 18/20 0.69
CYP11B1 P15538 16/20 0.69
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NTSR1 P30989 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL20114498 0.90 CYP11B2 (0.64) CYP11B2CYP11B1ALDH1A1
SCHEMBL20843302 0.88 ABCG2 (0.54) CYP11B2CYP11B1MEN1KMT2ANTSR1
SCHEMBL1317276 0.87 CYP11B2 (0.68) CYP11B2CYP11B1
SCHEMBL24324019 0.86 CYP11B1 (0.56) CYP11B2CYP11B1MEN1KMT2ANTSR1
SCHEMBL20794112 0.82 CYP11B2 (0.58) CYP11B2CYP11B1
SCHEMBL20460051 0.82 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL30132416 0.81 CYP11B1 (0.78) CYP11B2CYP11B1
SCHEMBL1514257 0.81 CYP11B1 (0.78) CYP11B2CYP11B1
SCHEMBL16122285 0.81 ALDH1A1 (0.46) CYP11B2CYP11B1MEN1KMT2ANTSR1
SCHEMBL22563364 0.80 CYP11B1 (0.52) CYP11B2CYP11B1MEN1KMT2ANTSR1

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
EP-3459943-B1 PYRIMIDINE-BASED ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-22 EP disclosed
EP-3459943-A1 PYRIMIDINE-BASED ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-27 EP disclosed