SCHEMBL6840522

SCHEMBL6840522

CC(=O)Nc1cnccc1-c1ncc2c(n1)N(C(C)C)CC(=O)N2C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP1 O94782 2/20 0.35
STK4 Q13043 1/20 0.35
RPS6KA3 P51812 2/20 0.34
ATR Q13535 1/20 0.33
TGFBR1 P36897 1/20 0.33
MAPT P10636 3/20 0.32
GSK3B P49841 3/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
AAK1 Q2M2I8 2/20 0.31
METAP2 P50579 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
MYC P01106 1/20 0.30
PRKDC P78527 1/20 0.30

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
SCHEMBL6840386 0.91 STK4 (0.34) STK4RPS6KA3ATRMAPTGSK3B
SCHEMBL6844424 0.84 CYP11B2 (0.35) USP1STK4RPS6KA3
SCHEMBL7743634 0.82 PLK1 (0.46) PIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL6840403 0.82 STK4 (0.38) USP1STK4RPS6KA3TGFBR1
SCHEMBL6844422 0.79 STK4 (0.36) USP1STK4RPS6KA3
SCHEMBL7742264 0.79 KCNA5 (0.34) STK4RPS6KA3
SCHEMBL2030617 0.78 PLK1 (0.53) STK4
SCHEMBL6840300 0.73 PLK1 (0.48) PIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL2031221 0.72 BRD4 (0.53) RPS6KA3
SCHEMBL2031223 0.72 BRD4 (0.53) RPS6KA3

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-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed