SCHEMBL6236892

SCHEMBL6236892

Cc1ccc(NC(=O)c2cc(Br)c(CN3CCCCC3)c(Br)c2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cc(Br)c(CNCCCN3CCOCC3)c(Br)c2)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 0.58
BCR P11274 17/20 0.58
KIT P10721 5/20 0.58
PDGFRB P09619 3/20 0.58
LYN P07948 3/20 0.58
PDGFRA P16234 3/20 0.58
EGFR P00533 2/20 0.58
ERBB2 P04626 2/20 0.58
LCK P06239 2/20 0.58
FYN P06241 2/20 0.58
CSF1R P07333 2/20 0.58
FGR P09769 2/20 0.58
SRC P12931 2/20 0.58
BRAF P15056 2/20 0.58
NQO2 P16083 2/20 0.58
EPHA8 P29322 2/20 0.58
ABL2 P42684 2/20 0.58
FRK P42685 2/20 0.58
BLK P51451 2/20 0.58
DDR1 Q08345 2/20 0.58

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
SCHEMBL717079 0.95 ABL1 (0.60) ABL1BCRKITPDGFRBLYN
SCHEMBL715534 0.89 ABL1 (0.70) ABL1BCRKITPDGFRBLYN
SCHEMBL715741 0.84 ABL1 (0.80) ABL1BCRKITPDGFRBLYN
SCHEMBL5315141 0.83 ABL1 (0.51) ABL1BCRKITPDGFRBLYN
SCHEMBL5315135 0.81 ABL1 (0.50) ABL1BCRKITPDGFRBLYN
SCHEMBL5508986 0.81 ABL1 (0.68) ABL1BCRKITPDGFRBLYN
SCHEMBL715940 0.80 ABL1 (0.85) ABL1BCRKITPDGFRBLYN
SCHEMBL5186493 0.80 ABL1 (0.57) ABL1BCRKITPDGFRBLYN
SCHEMBL717184 0.79 ABL1 (0.87) ABL1BCRKITPDGFRBLYN
SCHEMBL717536 0.79 ABL1 (0.62) ABL1BCRKITPDGFRBLYN

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-2005115304-A2 USE OF C-KIT INHIBITORS FOR TREATING FIBRODYSPLASIA AB SCIENCE (FR) 2005-12-08 WO disclosed