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SCHEMBL13160649

SCHEMBL13160649

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.45
▸ FYN P06241 2/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ FGFR2 P21802 1/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ BTK Q06187 2/20 0.39
▸ PDGFRB P09619 4/20 0.39
▸ KDR P35968 4/20 0.39
▸ HDAC1 Q13547 4/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CALCRL Q16602 1/20 0.38
▸ GRIA1 P42261 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37

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
SCHEMBL14453781 0.88 F2 (0.41) SRC
SCHEMBL14453773 0.88 F2 (0.41) SRC
SCHEMBL14453778 0.88 F2 (0.41) SRC
SCHEMBL14453772 0.80 F2 (0.46) —
SCHEMBL13160651 0.79 F2 (0.36) FYNBTK
SCHEMBL14453784 0.78 NPY1R (0.45) —
SCHEMBL14453771 0.78 F2 (0.45) —
SCHEMBL13183487 0.77 SRC (0.47) SRCFYNFGFR1FGFR2FGFR3
SCHEMBL14471400 0.77 SRC (0.56) SRCFYNACHEBACE1BTK
SCHEMBL14453776 0.76 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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