SCHEMBL5223561

SCHEMBL5223561

Cc1ccc(NC(=O)c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.73
BCR P11274 9/20 0.69
LYN P07948 4/20 0.69
PDGFRA P16234 10/20 0.68
KIT P10721 6/20 0.68
KDR P35968 4/20 0.68
PDGFRB P09619 5/20 0.64
EGFR P00533 2/20 0.63
PRKCA P17252 1/20 0.63
BRAF P15056 2/20 0.60
MAPK14 Q16539 2/20 0.60
PLK4 O00444 1/20 0.60
DDX3X O00571 1/20 0.60
GAK O14976 1/20 0.60
SLC22A2 O15244 1/20 0.60
MAPK13 O15264 1/20 0.60
CA12 O43570 1/20 0.60
SLC22A3 O75751 1/20 0.60
ABCB11 O95342 1/20 0.60
CA1 P00915 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
SCHEMBL1653890 0.97 ABL1 (0.69) ABL1BCRLYNPDGFRAKIT
SCHEMBL3532229 0.94 ABL1 (0.76) ABL1BCRLYNPDGFRAKIT
SCHEMBL3526105 0.93 ABL1 (0.75) ABL1BCRLYNPDGFRAKIT
SCHEMBL3528980 0.92 ABL1 (0.79) ABL1BCRLYNPDGFRAKIT
SCHEMBL1654077 0.91 ABL1 (0.72) ABL1BCRLYNPDGFRAKIT
SCHEMBL1654184 0.90 ABL1 (0.71) ABL1BCRLYNPDGFRAKIT
SCHEMBL1654429 0.89 ABL1 (0.79) ABL1BCRLYNPDGFRAKIT
SCHEMBL3100773 0.87 ABL1 (0.64) ABL1BCRLYNPDGFRAKIT
SCHEMBL3536285 0.86 ABL1 (0.76) ABL1BCRLYNPDGFRAKIT
SCHEMBL27803461 0.86 ABL1 (0.62) ABL1BCRLYNPDGFRAKIT

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
EP-1546127-B1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2007-08-08 EP disclosed