SCHEMBL13826003

SCHEMBL13826003

Cc1ccc(-c2nn(C)c3ncnc(N)c23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.68
ABL1 P00519 10/20 0.68
EGFR P00533 10/20 0.68
MTOR P42345 10/20 0.68
KDR P35968 9/20 0.68
FYN P06241 4/20 0.68
YES1 P07947 3/20 0.68
KDM4E B2RXH2 2/20 0.68
AURKB Q96GD4 2/20 0.68
RIPK2 O43353 2/20 0.68
LYN P07948 2/20 0.68
PLK4 O00444 1/20 0.68
ROCK2 O75116 1/20 0.68
PRKD3 O94806 1/20 0.68
MAP4K4 O95819 1/20 0.68
ALDH1A1 P00352 1/20 0.68
LMNA P02545 1/20 0.68
ERBB2 P04626 1/20 0.68
INSR P06213 1/20 0.68
LCK P06239 1/20 0.68

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
SCHEMBL30782445 0.89 NUDT14 (0.69) SRCABL1EGFRMTORKDR
SCHEMBL12366 0.89 NUDT14 (0.69) SRCABL1EGFRMTORKDR
SCHEMBL16886112 0.87 PIK3CD (0.68) SRCABL1EGFRMTORKDR
SCHEMBL13019672 0.87 SRC (0.69) SRCABL1EGFRMTORKDR
SCHEMBL130419 0.87 PIK3CD (0.70) SRCABL1EGFRMTORKDR
SCHEMBL23917243 0.87 KDM4E (0.69) SRCABL1EGFRMTORKDR
SCHEMBL21079131 0.87 NUDT14 (0.66) SRCABL1EGFRMTORKDR
SCHEMBL409367 0.86 PIK3CD (0.82) SRCABL1EGFRMTORKDR
SCHEMBL23917506 0.85 NUDT14 (0.64) SRCABL1EGFRMTORKDR
SCHEMBL13826048 0.84 NUDT14 (0.63) SRCABL1EGFRMTORKDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012151525-A9 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-12-13 WO disclosed
WO-2012151525-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-08 WO disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed