SCHEMBL3825439

SCHEMBL3825439

CNc1ncc2c(C)n(-c3cc(NC(=O)c4cc(N(C)C)cc(C(F)(F)F)c4)ccc3C)c(=O)nc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.46
LCK P06239 4/20 0.43
KDR P35968 4/20 0.43
MAPK14 Q16539 3/20 0.43
JAK3 P52333 2/20 0.43
BMX P51813 5/20 0.43
TEK Q02763 4/20 0.41
TNK2 Q07912 9/20 0.40
MAP4K2 Q12851 9/20 0.40
BRAF P15056 1/20 0.40
JAK2 O60674 1/20 0.39
BCR P11274 1/20 0.39
RIPK1 Q13546 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
EPHB4 P54760 2/20 0.39
FES P07332 1/20 0.39
RET P07949 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
FGFR1 P11362 1/20 0.39

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
SCHEMBL3831601 0.90 TNK2 (0.49) ABL1LCKKDRMAPK14JAK3
SCHEMBL3825775 0.85 TNK2 (0.56) ABL1MAPK14TNK2MAP4K2BRAF
SCHEMBL3830617 0.83 TNK2 (0.53) ABL1LCKBMXTNK2MAP4K2
SCHEMBL3829532 0.81 BTK (0.46) ABL1LCKBMXTEKTNK2
SCHEMBL3829290 0.79 TNK2 (0.63) ABL1LCKBMXTNK2MAP4K2
SCHEMBL3825109 0.79 TNK2 (0.54) ABL1LCKBMXTNK2MAP4K2
SCHEMBL3829391 0.79 MAP4K2 (0.45) ABL1LCKKDRMAPK14JAK3
SCHEMBL3827885 0.79 TNK2 (0.55) ABL1LCKBMXTNK2MAP4K2
SCHEMBL3827719 0.79 TNK2 (0.55) ABL1LCKKDRBMXTEK
SCHEMBL3825888 0.79 LCK (0.54) ABL1LCKKDRMAPK14JAK3

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