SCHEMBL13183487

SCHEMBL13183487

CC(=O)NC(CS)C(=O)NC(C(=O)NC(C)Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3c(N)ncnc32)cc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.47
▸ FYN P06241 6/20 0.42
▸ BTK Q06187 2/20 0.40
▸ EGFR P00533 2/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ RIPK1 Q13546 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ BLK P51451 1/20 0.38
▸ PDGFRB P09619 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ PRKDC P78527 1/20 0.38

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
SCHEMBL13160647 0.82 FYN (0.42) SRCFYNBTKEGFRLYN
SCHEMBL14453773 0.81 F2 (0.41) SRC
SCHEMBL14453778 0.81 F2 (0.41) SRC
SCHEMBL14453781 0.81 F2 (0.41) SRC
SCHEMBL14471400 0.79 SRC (0.56) SRCFYNBTKRIPK1LYN
SCHEMBL13160649 0.77 SRC (0.45) SRCFYNBTKFGFR1FGFR2
SCHEMBL14453784 0.75 NPY1R (0.45) —
SCHEMBL14471392 0.71 SRC (0.51) SRCFYNBTKFGFR1FGFR2
SCHEMBL13183399 0.69 CASP1 (0.51) —
SCHEMBL14453776 0.68 F2 (0.49) —

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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