SCHEMBL5175191

SCHEMBL5175191

CS(=O)(=O)c1ccc(NC(=O)c2ccc(CN)cc2)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.60
BCR P11274 6/20 0.60
PDGFRB P09619 3/20 0.60
KIT P10721 3/20 0.60
PDGFRA P16234 3/20 0.60
EGFR P00533 1/20 0.60
ERBB2 P04626 1/20 0.60
LCK P06239 1/20 0.60
FYN P06241 1/20 0.60
CSF1R P07333 1/20 0.60
YES1 P07947 1/20 0.60
LYN P07948 1/20 0.60
HCK P08631 1/20 0.60
FGR P09769 1/20 0.60
PIM1 P11309 1/20 0.60
SLC25A6 P12236 1/20 0.60
SRC P12931 1/20 0.60
BRAF P15056 1/20 0.60
NQO2 P16083 1/20 0.60
EPHA3 P29320 1/20 0.60

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
SCHEMBL716325 0.88 ABL1 (0.75) ABL1BCRPDGFRBKITPDGFRA
SCHEMBL7151895 0.87 ABL1 (0.71) ABL1BCRPDGFRBKITPDGFRA
SCHEMBL5501640 0.86 ABL1 (0.56) ABL1BCRPDGFRBKITPDGFRA
SCHEMBL5176115 0.86 ABL1 (0.56) ABL1BCRPDGFRBKITPDGFRA
SCHEMBL6871374 0.86 ABL1 (0.58) ABL1BCRPDGFRBKITPDGFRA
SCHEMBL5512481 0.82 ABL1 (0.51) ABL1BCRPDGFRBKITPDGFRA
SCHEMBL7038373 0.82 ABL1 (0.52) ABL1BCRPDGFRBKITPDGFRA
SCHEMBL7039197 0.82 ABL1 (0.52) ABL1BCRPDGFRBKITPDGFRA
SCHEMBL5972230 0.81 ABL1 (0.60) ABL1BCRPDGFRBKITPDGFRA
SCHEMBL5502625 0.81 ABL1 (0.59) ABL1BCRPDGFRBKITPDGFRA

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-1746990-A1 USE OF MAST CELLS INHIBITORS FOR TREATING PATIENTS EXPOSED TO CHEMICAL OR BIOLOGICAL WEAPONS AB Science (FR) 2007-01-31 EP disclosed
WO-2005112920-A1 USE OF MAST CELLS INHIBITORS FOR TREATING PATIENTS EXPOSED TO CHEMICAL OR BIOLOGICAL WEAPONS AB SCIENCE (FR) 2005-12-01 WO disclosed