SCHEMBL29397246

SCHEMBL29397246

CSc1cc(Oc2cccc3[nH]c(=O)cnc23)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.40
THRB P10828 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
RPS6KA3 P51812 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 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
SCHEMBL29396863 0.84 BRAF (0.41) BRAFADORA3MEN1KMT2A
SCHEMBL2931666 0.82 BRAF (0.56) BRAF
Hydrochloric Acid SCHEMBL29394699 0.81 BRAF (0.56) BRAF
SCHEMBL2934765 0.78 BRAF (0.56) BRAF
SCHEMBL28707068 0.77 BRAF (0.41) BRAFTHRBMEN1NPC1KMT2A
Hydrochloric Acid SCHEMBL29394203 0.76 BRAF (0.41) BRAFTHRBMEN1NPC1KMT2A
SCHEMBL29394175 0.74 BRD4 (0.38) MEN1KMT2A
SCHEMBL1042504 0.71 HPGD (0.48) ADORA2AMEN1KMT2A
SCHEMBL14705752 0.70 BRAF (0.55) BRAF
SCHEMBL28700841 0.70 BRAF (0.36) BRAFMEN1NPC1KMT2AAPOBEC3G

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-3999057-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES SAS (FR) 2022-05-25 EP disclosed
CN-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 CN disclosed