SCHEMBL13301928

SCHEMBL13301928

CNc1cc(-n2ccnc2Nc2cc(NC(=O)c3cccc(CF)c3)ccc2C)ncn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.47
KDR P35968 18/20 0.47
LYN P07948 17/20 0.47
SRC P12931 17/20 0.47
HCK P08631 16/20 0.47
INSR P06213 15/20 0.47
BTK Q06187 1/20 0.44
MAPK14 Q16539 1/20 0.42
TNNI3K Q59H18 1/20 0.42

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
SCHEMBL13301821 0.92 LCK (0.45) LCKKDRLYNSRCHCK
SCHEMBL13301782 0.92 LCK (0.47) LCKKDRLYNSRCHCK
SCHEMBL13301979 0.91 LCK (0.54) LCKKDRLYNSRCHCK
SCHEMBL13301994 0.91 HCK (0.44) LCKKDRLYNSRCHCK
SCHEMBL13301855 0.90 LCK (0.45) LCKKDRLYNSRCHCK
SCHEMBL13301827 0.90 LCK (0.45) LCKKDRLYNSRCHCK
SCHEMBL13302020 0.88 LCK (0.45) LCKKDRLYNSRCHCK
SCHEMBL13302019 0.88 LCK (0.45) LCKKDRLYNSRCHCK
SCHEMBL13301730 0.87 MAPK14 (0.52) HCKBTKMAPK14
SCHEMBL13301997 0.87 LCK (0.46) LCKKDRLYNSRCHCK

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-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 US disclosed