SCHEMBL5586160

SCHEMBL5586160

CCN(c1ncc2nc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)c(=O)n(C)c2n1)C1CCCN1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.51
RAF1 P04049 13/20 0.45
BRAF P15056 11/20 0.45
DDR2 Q16832 1/20 0.45
ABL1 P00519 2/20 0.44
LCK P06239 3/20 0.44
MAPK14 Q16539 3/20 0.44
KDR P35968 2/20 0.44
JAK3 P52333 2/20 0.44
TEK Q02763 1/20 0.44
SRC P12931 1/20 0.43

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
SCHEMBL4869600 0.86 SYK (0.57) SYKRAF1BRAFDDR2LCK
SCHEMBL4879790 0.84 SYK (0.59) SYKRAF1BRAFDDR2LCK
SCHEMBL4879453 0.82 BTK (0.62) SYKRAF1BRAFDDR2ABL1
SCHEMBL4879441 0.80 BRAF (0.57) SYKRAF1BRAFDDR2LCK
SCHEMBL4879496 0.79 BTK (0.59) SYKRAF1BRAFDDR2ABL1
SCHEMBL4879885 0.79 LCK (0.66) SYKRAF1BRAFDDR2LCK
SCHEMBL4870778 0.79 SYK (0.61) SYKRAF1BRAFDDR2LCK
SCHEMBL4880464 0.79 LCK (0.65) SYKRAF1BRAFDDR2ABL1
SCHEMBL4869644 0.79 SYK (0.58) SYKRAF1BRAFDDR2LCK
SCHEMBL4879771 0.79 SYK (0.63) SYKRAF1BRAFDDR2ABL1

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
EP-1765820-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-28 EP claimed
WO-2006002367-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-01-05 WO claimed