SCHEMBL19687595

SCHEMBL19687595

Cc1ccc2c(cc(C#N)n2Cc2cn[nH]c2)c1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.45
KMT2A Q03164 7/20 0.45
PARG Q86W56 1/20 0.35
ROCK2 O75116 3/20 0.34
PIK3R1 P27986 3/20 0.33
PIK3CA P42336 3/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
ASH1L Q9NR48 1/20 0.31

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
SCHEMBL18292172 0.85 MEN1 (0.40) MEN1KMT2AROCK2GRIN1GRIN2B
SCHEMBL18292162 0.85 MEN1 (0.42) MEN1KMT2APARGROCK2PIK3R1
SCHEMBL18292174 0.80 MEN1 (0.40) MEN1KMT2AROCK2PIK3R1PIK3CA
SCHEMBL20067410 0.80 MEN1 (0.39) MEN1KMT2APARGROCK2
SCHEMBL19687585 0.75 MEN1 (0.45) MEN1KMT2AROCK2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL31092654 0.75 KMT2A (0.40) MEN1KMT2AROCK2GRIN1GRIN2B
SCHEMBL19687584 0.74 PARG (0.39) MEN1KMT2APARGRAB9A
SCHEMBL19687574 0.74 PARG (0.40) PARGGRIN1GRIN2B
SCHEMBL22037356 0.73 MEN1 (0.63) MEN1KMT2A
SCHEMBL19687588 0.73 PARG (0.40) PARG

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
WO-2017205972-A1 SYSTEMS METHODS AND COMPOSITIONS FOR PREDICTING METASTASIS IN BLADDER CANCER GENOMEDX BIOSCIENCES, INC. (CA) 2017-12-07 WO disclosed