SCHEMBL17803857

SCHEMBL17803857

Cc1cccc(-c2ccc3nc(N)ncc3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.62
KDR P35968 5/20 0.62
JAK3 P52333 2/20 0.62
MAPK14 Q16539 2/20 0.62
ADORA1 P30542 1/20 0.55
MAP4K4 O95819 1/20 0.52
RAB9A P51151 1/20 0.50
KIT P10721 8/20 0.49
SRC P12931 8/20 0.49
ABL1 P00519 1/20 0.45
PDGFRA P16234 1/20 0.45
TEK Q02763 1/20 0.43
BRAF P15056 1/20 0.43

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
SCHEMBL15638437 0.85 LCK (0.60) LCKKDRJAK3MAPK14ADORA1
SCHEMBL5488838 0.84 MAP4K4 (0.61) LCKKDRJAK3MAPK14MAP4K4
SCHEMBL2741576 0.83 LCK (0.65) LCKKDRJAK3MAPK14ADORA1
SCHEMBL42089 0.83 LCK (0.73) LCKKDRJAK3MAPK14KIT
SCHEMBL2632884 0.81 LCK (0.57) LCKKDRJAK3MAPK14ADORA1
SCHEMBL12575968 0.81 SRC (0.61) LCKKDRJAK3MAPK14ADORA1
SCHEMBL21416840 0.81 LCK (0.55) LCKKDRJAK3MAPK14MAP4K4
SCHEMBL5494272 0.78 LCK (0.58) LCKKDRJAK3MAPK14RAB9A
SCHEMBL24335889 0.78 PIK3CA (0.55) LCKKDRJAK3MAPK14PDGFRA
SCHEMBL13040 0.78 MAP4K4 (0.66) ADORA1MAP4K4RAB9A

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-9359349-B2 Substituted quinazolines as kinase inhibitors INTELLIKINE LLC (US) 2016-06-07 US disclosed