SCHEMBL13183365

SCHEMBL13183365

Nc1ncnc2c1c(-c1ccccc1)nn2CC(=O)NCC=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 7/20 0.57
▸ PIK3CD O00329 1/20 0.54
▸ PIK3CA P42336 1/20 0.54
▸ PIK3CB P42338 1/20 0.54
▸ PIK3CG P48736 1/20 0.54
▸ PRKDC P78527 1/20 0.54
▸ FYN P06241 7/20 0.54
▸ EGFR P00533 5/20 0.53
▸ LCK P06239 3/20 0.53
▸ JAK3 P52333 3/20 0.53
▸ BTK Q06187 3/20 0.53
▸ ITK Q08881 3/20 0.53
▸ MAP2K5 Q13163 1/20 0.49
▸ ABL1 P00519 1/20 0.47
▸ LYN P07948 2/20 0.47
▸ BLK P51451 2/20 0.47

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
SCHEMBL14471386 0.84 PIK3CD (0.63) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14472337 0.82 HDAC1 (0.52) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14471390 0.81 SRC (0.53) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15826973 0.79 FYN (0.57) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28468967 0.78 BTK (0.65) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14471387 0.77 SRC (0.64) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14471393 0.77 SRC (0.73) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15826974 0.77 FYN (0.54) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15826975 0.76 FYN (0.68) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14471400 0.76 SRC (0.56) SRCPIK3CDPIK3CAPIK3CBPIK3CG

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
US-7799753-B2 Bisubstrate inhibitors of protein tyrosine kinases as therapeutic agents Board of Governers for Higher Education (US) 2010-09-21 — — US disclosed
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