SCHEMBL14566854

SCHEMBL14566854

Cc1ccc(C(=O)Nc2ccc(CN3CCNCC3)cc2)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.77
BCR P11274 19/20 0.77
KIT P10721 7/20 0.77
PDGFRB P09619 3/20 0.77
ABL2 P42684 3/20 0.77
PDGFRA P16234 3/20 0.77
EGFR P00533 2/20 0.77
ERBB2 P04626 2/20 0.77
LCK P06239 2/20 0.77
FYN P06241 2/20 0.77
CSF1R P07333 2/20 0.77
LYN P07948 2/20 0.77
FGR P09769 2/20 0.77
SRC P12931 2/20 0.77
BRAF P15056 2/20 0.77
NQO2 P16083 2/20 0.77
EPHA8 P29322 2/20 0.77
FRK P42685 2/20 0.77
BLK P51451 2/20 0.77
DDR1 Q08345 2/20 0.77

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
SCHEMBL19236040 0.95 ABL1 (0.85) ABL1BCRKITPDGFRBABL2
SCHEMBL30925633 0.95 ABL1 (0.85) ABL1BCRKITPDGFRBABL2
SCHEMBL3301373 0.92 ABL1 (0.91) ABL1BCRKITPDGFRBABL2
SCHEMBL717173 0.89 ABL1 (0.88) ABL1BCRKITPDGFRBABL2
SCHEMBL717184 0.88 ABL1 (0.87) ABL1BCRKITPDGFRBABL2
Masitinib SCHEMBL29353195 0.87 ABL1 (1.00) ABL1BCRKITPDGFRBABL2
Masitinib SCHEMBL717239 0.87 ABL1 (1.00) ABL1BCRKITPDGFRBABL2
Masitinib SCHEMBL29355443 0.87 ABL1 (1.00) ABL1BCRKITPDGFRBABL2
SCHEMBL16085058 0.87 ABL1 (0.89) ABL1BCRKITPDGFRBABL2
SCHEMBL715940 0.87 ABL1 (0.85) ABL1BCRKITPDGFRBABL2

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-2007026251-A2 USE OF DUAL C-KIT/FGFR3 INHIBITORS FOR TREATING MULTIPLE MYELOMA AB SCIENCE (FR) 2007-03-08 WO disclosed