SCHEMBL6155594

SCHEMBL6155594

Cc1n[nH]c(-c2ccc(N)cc2)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
PRKDC P78527 2/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 3/20 0.42
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 0.42
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
IKBKB O14920 2/20 0.39
CHUK O15111 1/20 0.39
ACHE P22303 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 4/20 0.36

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
SCHEMBL3488188 0.81 MAPK14 (0.41) MAPTMAPK1TP53CYP3A4GAA
SCHEMBL16225421 0.81 AKT2 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL6669773 0.80 DYRK1B (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3464587 0.79 MAPK14 (0.39) MAPTGAAALDH1A1TDP1HSD17B10
SCHEMBL6157209 0.79 NOTUM (0.41) MAPTALDH1A1TDP1SMN1; SMN2GFER
SCHEMBL6154401 0.75 TDP1 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL5740333 0.74 MAPT (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL25859980 0.69 AKT2 (0.66) TP53CYP3A4IKBKBCHUKALDH1A1
SCHEMBL16478914 0.69 ALDH1A1 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL14879534 0.67 KIF11 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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-1553985-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE The Trustees of The University of Pennsylvania (US) 2005-07-20 EP disclosed
WO-2004032975-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2004-04-22 WO disclosed