SCHEMBL21482292

SCHEMBL21482292

CNCCNCc1cccc(-c2nc(-c3ccnc4[nH]ccc34)c(C)c(N3CCOCC3)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 19/20 0.72
HDAC2 Q92769 1/20 0.53
PIK3CA P42336 1/20 0.51
MTOR P42345 1/20 0.51

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
SCHEMBL21482280 0.86 CARM1 (0.62) CARM1HDAC2PIK3CAMTOR
SCHEMBL21482567 0.84 CARM1 (1.00) CARM1
SCHEMBL21462110 0.83 CARM1 (0.58) CARM1PIK3CA
SCHEMBL21462158 0.82 CARM1 (0.65) CARM1
SCHEMBL21465840 0.78 CARM1 (1.00) CARM1
SCHEMBL21462267 0.76 ATR (0.61) MTOR
SCHEMBL21462268 0.76 ATR (0.61) MTOR
SCHEMBL21482273 0.75 CARM1 (0.61) CARM1PIK3CAMTOR
SCHEMBL21482269 0.75 CARM1 (0.52) CARM1HDAC2
SCHEMBL21482272 0.73 CARM1 (0.61) CARM1PIK3CA

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-2019196720-A1 ARGININE METHYLTRANSFERASE INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 中国科学院上海药物研究所 2019-10-17 WO disclosed