SCHEMBL21482280

SCHEMBL21482280

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

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 14/20 0.62
PIK3CA P42336 5/20 0.48
MTOR P42345 3/20 0.48
PIK3R1 P27986 1/20 0.48
HDAC2 Q92769 1/20 0.46
ATR Q13535 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 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
SCHEMBL21462110 0.89 CARM1 (0.58) CARM1PIK3CAATR
SCHEMBL21482273 0.89 CARM1 (0.61) CARM1PIK3CAMTORPIK3R1ATR
SCHEMBL21482292 0.86 CARM1 (0.72) CARM1PIK3CAMTORHDAC2
SCHEMBL21482272 0.83 CARM1 (0.61) CARM1PIK3CA
SCHEMBL21482282 0.81 PIK3CA (0.57) CARM1PIK3CAMTORPIK3R1
SCHEMBL21462268 0.81 ATR (0.61) MTORATR
SCHEMBL21462267 0.81 ATR (0.61) MTORATR
SCHEMBL21486201 0.81 PIK3CA (0.55) CARM1PIK3CAMTORPIK3R1
SCHEMBL21482269 0.80 CARM1 (0.52) CARM1HDAC2ATR
SCHEMBL21482290 0.80 PIK3CA (0.58) CARM1PIK3CAMTORPIK3R1

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