SCHEMBL989129

SCHEMBL989129

CCN1CCN(Cc2ccc(C(=O)Nc3cc(F)c(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 18/20 0.71
BCR P11274 14/20 0.71
KIT P10721 11/20 0.71
PDGFRA P16234 6/20 0.71
PDGFRB P09619 3/20 0.71
LYN P07948 3/20 0.71
ABL2 P42684 3/20 0.71
SRC P12931 2/20 0.71
SYK P43405 2/20 0.71
PLK4 O00444 1/20 0.71
DDX3X O00571 1/20 0.71
GAK O14976 1/20 0.71
SLC22A2 O15244 1/20 0.71
MAPK13 O15264 1/20 0.71
CA12 O43570 1/20 0.71
SLC22A3 O75751 1/20 0.71
ABCB11 O95342 1/20 0.71
EGFR P00533 1/20 0.71
CA1 P00915 1/20 0.71
CA2 P00918 1/20 0.71

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
SCHEMBL990376 0.94 ABL1 (0.81) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL988987 0.91 ABL1 (0.73) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL3011038 0.89 ABL1 (0.73) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL4394235 0.89 ABL1 (0.88) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL988625 0.88 ABL1 (0.75) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL31060893 0.88 ABL1 (0.75) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL4894144 0.87 ABL1 (0.75) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL31553098 0.86 ABL1 (0.94) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL2624943 0.86 ABL1 (0.84) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL11939482 0.86 ABL1 (0.87) ABL1BCRKITPDGFRAPDGFRB

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 3 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
WO-2011008788-A1 FLUORO-SUBSTITUTED COMPOUNDS AS KINASE INHIBITORS AND METHODS OF USE THEREOF ZHANG DAWEI (US) 2011-01-20 WO disclosed