SCHEMBL462946

SCHEMBL462946

NC(=O)c1ncccc1-c1cccc2[nH]ncc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.48
BTK Q06187 4/20 0.44
TEC P42680 3/20 0.44
BMX P51813 3/20 0.44
NOS1 P29475 3/20 0.44
BLK P51451 2/20 0.44
ITK Q08881 2/20 0.44
ERBB2 P04626 2/20 0.44
ERBB4 Q15303 2/20 0.44
TXK P42681 1/20 0.44
JAK3 P52333 1/20 0.44
LCK P06239 2/20 0.43
LYN P07948 1/20 0.43
HCK P08631 1/20 0.43
FGR P09769 1/20 0.43
SRC P12931 1/20 0.43
FRK P42685 1/20 0.43
LIMK1 P53667 1/20 0.43
ACVR1 Q04771 1/20 0.43
TNK2 Q07912 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
SCHEMBL459116 0.81 PIK3CD (0.59) METAP2BTKTECBMXBLK
SCHEMBL1118909 0.80 PIK3CD (0.53) METAP2BTKTECBMXBLK
SCHEMBL31409300 0.78 METAP2 (0.55) METAP2BTKTECBMXNOS1
SCHEMBL4560363 0.78 MKNK1 (0.50) LIMK1
SCHEMBL27399246 0.78 PIK3CA (0.46) METAP2BTKTECBMXBLK
SCHEMBL19664493 0.77 CCNA2 (0.49) BTKTECBMXNOS1BLK
SCHEMBL26675049 0.76 BTK (0.46) METAP2BTKTECBMXNOS1
SCHEMBL31437268 0.76 BTK (0.46) METAP2BTKTECBMXNOS1
Hydrochloric Acid SCHEMBL19664473 0.76 CCNA2 (0.48) BTKTECBMXNOS1BLK
SCHEMBL28501811 0.75 PARP1 (0.46) GSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed