SCHEMBL2712428

SCHEMBL2712428

COc1ccccc1-c1ncccc1Nc1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12.COc1ccccc1-c1ncccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ABCG2 Q9UNQ0 3/20 0.34
TGFBR1 P36897 1/20 0.33
GRM5 P41594 1/20 0.33
PIK3CA P42336 2/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL2712974 0.91 PIK3CD (0.49) PIK3CDL3MBTL1ALDH1A1MAPTCYP1A2
SCHEMBL2711897 0.82 PIK3CD (0.54) PIK3CDL3MBTL1ALDH1A1MAPTCYP1A2
SCHEMBL2712834 0.81 PIK3CD (0.52) PIK3CDL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL2713104 0.80 PIK3CD (0.62) PIK3CDMAPTLMNAPIK3CA
SCHEMBL2713223 0.76 PIK3CD (0.75) PIK3CDPIK3CA
SCHEMBL3774912 0.73 PIK3CD (0.59) PIK3CDPIK3CA
SCHEMBL2711475 0.71 ALDH1A1 (0.58) L3MBTL1MEN1KMT2AMAPK1ALDH1A1
SCHEMBL2712521 0.71 PIK3CD (0.51) PIK3CDL3MBTL1MAPTCYP3A4PIK3CA
SCHEMBL2712519 0.70 PIK3CD (0.72) PIK3CDPIK3CA
SCHEMBL2711628 0.70 PIK3CD (0.74) PIK3CDPIK3CA

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-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 EP disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed