SCHEMBL24049451

SCHEMBL24049451

CSCCC(NCl)C(=O)Nc1nc(-c2cccc(-c3ccncc3)c2)cs1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.47
ROCK1 Q13464 10/20 0.46
ROCK2 O75116 8/20 0.46
MRE11 P49959 1/20 0.46
GPR142 Q7Z601 1/20 0.45
PARP1 P09874 1/20 0.45
PRKACA P17612 2/20 0.45
WNT3A P56704 1/20 0.44
HDAC4 P56524 1/20 0.44
EP300 Q09472 1/20 0.44
MEF2D Q14814 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL23714619 0.92 MRE11 (0.46) ABL1ROCK1ROCK2MRE11GPR142
SCHEMBL21225217 0.88 HDAC6 (0.49) ABL1ROCK1ROCK2MRE11PARP1
SCHEMBL21225216 0.88 HDAC6 (0.49) ABL1ROCK1ROCK2MRE11PARP1
SCHEMBL30657979 0.88 HDAC6 (0.49) ABL1ROCK1ROCK2MRE11PARP1
SCHEMBL21241867 0.88 PARP1 (0.53) ROCK1MRE11GPR142PARP1
Hydrochloric Acid SCHEMBL23851366 0.87 HDAC6 (0.48) ABL1ROCK1ROCK2MRE11PARP1
Hydrochloric Acid SCHEMBL30319901 0.87 HDAC6 (0.48) ABL1ROCK1ROCK2MRE11PARP1
Hydrochloric Acid SCHEMBL23851364 0.87 HDAC6 (0.48) ABL1ROCK1ROCK2MRE11PARP1
SCHEMBL21225301 0.86 HDAC4 (0.47) ROCK1ROCK2MRE11PRKACAHDAC4
SCHEMBL21225303 0.86 HDAC4 (0.47) ROCK1ROCK2MRE11PRKACAHDAC4

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-2021236080-A1 METHODS OF TREATING CANCERS FOGHORN THERAPEUTICS INC. (US) 2021-11-25 WO disclosed