SCHEMBL6287785

SCHEMBL6287785

Cc1ccc(N)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)CCCN2CCOCC2)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.57
BCR P11274 7/20 0.57
KIT P10721 2/20 0.57
PDGFRB P09619 2/20 0.57
EGFR P00533 1/20 0.57
ERBB2 P04626 1/20 0.57
LCK P06239 1/20 0.57
FYN P06241 1/20 0.57
CSF1R P07333 1/20 0.57
YES1 P07947 1/20 0.57
LYN P07948 1/20 0.57
HCK P08631 1/20 0.57
FGR P09769 1/20 0.57
PIM1 P11309 1/20 0.57
SLC25A6 P12236 1/20 0.57
SRC P12931 1/20 0.57
BRAF P15056 1/20 0.57
NQO2 P16083 1/20 0.57
PDGFRA P16234 1/20 0.57
EPHA3 P29320 1/20 0.57

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
SCHEMBL717536 0.96 ABL1 (0.62) ABL1BCRKITPDGFRBEGFR
SCHEMBL6287781 0.92 ABL1 (0.60) ABL1BCRKITPDGFRBEGFR
SCHEMBL4917457 0.82 KIT (0.53) ABL1BCRKITPDGFRBEGFR
SCHEMBL715940 0.80 ABL1 (0.85) ABL1BCRKITPDGFRBEGFR
SCHEMBL717079 0.79 ABL1 (0.60) ABL1BCRKITPDGFRBEGFR
SCHEMBL4917454 0.79 ABL1 (0.58) ABL1BCRKITPDGFRBEGFR
SCHEMBL716373 0.79 ABL1 (0.63) ABL1BCRKITPDGFRBEGFR
SCHEMBL717169 0.78 HDAC3 (0.58) ABL1BCRKITPDGFRBEGFR
SCHEMBL1377910 0.78 ABL1 (0.54) ABL1BCRKITPDGFRBEGFR
SCHEMBL1096303 0.78 GAA (0.79) ABL1BCRKITGAAMEN1

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-2005102318-A1 USE OF C-KIT INHIBITORS FOR TREATING HIV RELATED DISEASES AB SCIENCE (FR) 2005-11-03 WO disclosed