SCHEMBL21473072

SCHEMBL21473072

C=C/C(C)=C/c1ccc2nccc(-c3ccncc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.50
MTOR P42345 3/20 0.50
PIK3CD O00329 2/20 0.50
PIK3CB P42338 2/20 0.50
PIK3CG P48736 2/20 0.50
GAK O14976 1/20 0.50
RPS6KA4 O75676 1/20 0.50
STK10 O94804 1/20 0.50
PIM1 P11309 1/20 0.50
CSNK2A2 P19784 1/20 0.50
MAP2K2 P36507 1/20 0.50
CSNK1D P48730 1/20 0.50
CLK1 P49759 1/20 0.50
CLK2 P49760 1/20 0.50
CSNK1G2 P78368 1/20 0.50
MAP2K1 Q02750 1/20 0.50
DYRK1A Q13627 1/20 0.50
AAK1 Q2M2I8 1/20 0.50
Q6ZSR9 Q6ZSR9 1/20 0.50
TAOK1 Q7L7X3 1/20 0.50

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
SCHEMBL25947046 0.84 PIK3CA (0.50) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL26253740 0.80 PIK3CA (0.47) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL30827802 0.77 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL732106 0.77 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL729728 0.75 IP6K1 (0.50) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL729729 0.75 IP6K1 (0.50) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL730195 0.73 PIK3CA (0.84) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL730188 0.72 PIK3CA (0.87) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL10157305 0.72 PIK3CA (0.57) PIK3CAGAKAKT1KDM4ENPSR1
SCHEMBL29245485 0.70 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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-2019200224-A1 SYNERGISTIC DRUG COMBINATIONS PREDICTED FROM GENOMIC FEATURES AND SINGLE-AGENT RESPONSE PROFILES THE BROAD INSTITUTE, INC. (US) 2019-10-17 WO disclosed