SCHEMBL6820767

SCHEMBL6820767

Cc1cccc2nc(Nc3ccc4c(c3)N[N]C4=O)nc(Nc3cc(C4CC4)n[nH]3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.35
GRK6 P43250 3/20 0.35
ULK1 O75385 3/20 0.33
IGF1R P08069 2/20 0.32
CTNNB1 P35222 2/20 0.31
TCF7L2 Q9NQB0 2/20 0.31
AXL P30530 1/20 0.31
SYK P43405 2/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
STK16 O75716 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
RET P07949 1/20 0.31
LTK P29376 1/20 0.31
TTK P33981 1/20 0.31
GRK5 P34947 1/20 0.31

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
SCHEMBL6820104 0.88 AURKA (0.38) AURKAGRK6IGF1RCTNNB1TCF7L2
SCHEMBL6823211 0.86 ULK1 (0.46) AURKAULK1PDK1ULK2
SCHEMBL6819540 0.84 IRAK4 (0.32) ULK1IGF1RSYKDAPK3JAK2
SCHEMBL6823194 0.83 NPY5R (0.46) AURKAULK1PDK1ULK2
SCHEMBL6820543 0.82 NTRK1 (0.39) ULK1PAK4
SCHEMBL6819621 0.82 NTRK1 (0.39) GRK6ULK1IGF1RPAK4PDK1
SCHEMBL6819632 0.81 ULK1 (0.38) ULK1PAK4PDK1ULK2
SCHEMBL6820537 0.81 ULK1 (0.35) ULK1PAK4PDK1ULK2
SCHEMBL3769795 0.81 AURKA (0.35) AURKAGRK6ULK1IGF1RCTNNB1
SCHEMBL6820523 0.80 IGF1R (0.43) IGF1R

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
WO-2004037814-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-06 WO disclosed