SCHEMBL3829103

SCHEMBL3829103

COc1ncccc1Nc1ncc2c(C)n(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)c(=O)nc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.49
MAP4K2 Q12851 4/20 0.49
ABL1 P00519 3/20 0.49
BCR P11274 2/20 0.49
BMX P51813 2/20 0.49
RIPK1 Q13546 1/20 0.49
RIPK3 Q9Y572 1/20 0.49
SYK P43405 1/20 0.47
LCK P06239 3/20 0.47
BTK Q06187 2/20 0.47
BRAF P15056 5/20 0.47
JAK2 O60674 3/20 0.46
SRC P12931 2/20 0.46
KDR P35968 2/20 0.46
TEK Q02763 1/20 0.46
MAPK14 Q16539 1/20 0.46
MAPK3 P27361 1/20 0.46
CSF1R P07333 1/20 0.46
RAF1 P04049 1/20 0.46
EPHB4 P54760 1/20 0.46

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
SCHEMBL3825966 0.92 TNK2 (0.53) TNK2MAP4K2ABL1BCRBMX
SCHEMBL3825109 0.89 TNK2 (0.54) TNK2MAP4K2ABL1BCRBMX
SCHEMBL3825129 0.89 ABL1 (0.49) TNK2MAP4K2ABL1BCRBMX
SCHEMBL3827877 0.88 TNK2 (0.56) TNK2MAP4K2ABL1BCRBMX
SCHEMBL3825269 0.88 ABL1 (0.52) TNK2MAP4K2ABL1BCRBMX
SCHEMBL3825060 0.88 TNK2 (0.52) TNK2MAP4K2ABL1BCRBMX
SCHEMBL3830962 0.87 CSF1R (0.57) TNK2MAP4K2ABL1BCRBMX
SCHEMBL3829290 0.86 TNK2 (0.63) TNK2MAP4K2ABL1BCRBMX
SCHEMBL3831469 0.86 TNK2 (0.54) TNK2MAP4K2ABL1BCRBMX
SCHEMBL3827671 0.86 TNK2 (0.56) TNK2MAP4K2ABL1BCRBMX

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 EP claimed
JP-2007500725-A 2007-01-18 JP claimed
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 EP claimed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 WO claimed