SCHEMBL21482282

SCHEMBL21482282

CNCCNCc1cccc(-c2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.57
CARM1 Q86X55 3/20 0.49
PIK3R1 P27986 1/20 0.48
MTOR P42345 1/20 0.48

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
SCHEMBL21482368 0.88 PIK3CA (0.53) PIK3CACARM1
SCHEMBL21482273 0.88 CARM1 (0.61) PIK3CACARM1PIK3R1MTOR
SCHEMBL21462158 0.86 CARM1 (0.65) CARM1
SCHEMBL21482272 0.84 CARM1 (0.61) PIK3CACARM1
SCHEMBL21486201 0.82 PIK3CA (0.55) PIK3CACARM1PIK3R1MTOR
SCHEMBL21482280 0.81 CARM1 (0.62) PIK3CACARM1PIK3R1MTOR
SCHEMBL21482290 0.81 PIK3CA (0.58) PIK3CACARM1PIK3R1MTOR
SCHEMBL18193255 0.80 PIK3CA (0.76) PIK3CAPIK3R1MTOR
SCHEMBL1309278 0.78 PIK3CA (0.77) PIK3CAPIK3R1MTOR
SCHEMBL18193213 0.77 PIK3CA (0.75) PIK3CAPIK3R1MTOR

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