SCHEMBL988910

SCHEMBL988910

Cc1c(F)cc(NC(=O)c2ccc(CN3CCN(C)CC3)c(Cl)c2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.82
BCR P11274 18/20 0.82
LYN P07948 5/20 0.75
KIT P10721 7/20 0.69
PDGFRB P09619 3/20 0.69
PDGFRA P16234 3/20 0.67
SRC P12931 2/20 0.67
SYK P43405 2/20 0.67
ABL2 P42684 2/20 0.67
PLK4 O00444 1/20 0.67
DDX3X O00571 1/20 0.67
GAK O14976 1/20 0.67
SLC22A2 O15244 1/20 0.67
MAPK13 O15264 1/20 0.67
CA12 O43570 1/20 0.67
SLC22A3 O75751 1/20 0.67
ABCB11 O95342 1/20 0.67
EGFR P00533 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67

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
SCHEMBL988987 0.94 ABL1 (0.73) ABL1BCRLYNKITPDGFRB
SCHEMBL990376 0.91 ABL1 (0.81) ABL1BCRLYNKITPDGFRB
SCHEMBL988244 0.90 ABL1 (0.84) ABL1BCRLYNKITPDGFRB
SCHEMBL4894017 0.90 ABL1 (0.95) ABL1BCRLYNKITPDGFRB
SCHEMBL3557490 0.90 ABL1 (1.00) ABL1BCRLYNKITPDGFRB
SCHEMBL4890238 0.88 ABL1 (1.00) ABL1BCRLYNKITPDGFRB
SCHEMBL4891357 0.86 ABL1 (0.84) ABL1BCRLYNKITPDGFRB
SCHEMBL3563933 0.86 ABL1 (1.00) ABL1BCRLYNKITPDGFRB
SCHEMBL2631549 0.86 ABL1 (0.89) ABL1BCRLYNKITPDGFRB
SCHEMBL5576134 0.85 ABL1 (0.76) ABL1BCRLYNKITPDGFRB

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
WO-2011008788-A1 FLUORO-SUBSTITUTED COMPOUNDS AS KINASE INHIBITORS AND METHODS OF USE THEREOF ZHANG DAWEI (US) 2011-01-20 WO claimed
WO-2011008788-A1 FLUORO-SUBSTITUTED COMPOUNDS AS KINASE INHIBITORS AND METHODS OF USE THEREOF ZHANG DAWEI (US) 2011-01-20 WO disclosed