SCHEMBL3827191

SCHEMBL3827191

CCNc1ncc2c(C)n(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)cc(OC)c3)c(=O)nc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.52
LCK P06239 6/20 0.52
RAF1 P04049 3/20 0.45
BRAF P15056 3/20 0.45
MAPT P10636 7/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 4/20 0.43
BLK P51451 1/20 0.43
POLB P06746 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
KCNQ5 Q9NR82 1/20 0.42
MDM2 Q00987 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
SAE1 Q9UBE0 1/20 0.42

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
SCHEMBL3825126 0.92 BTK (0.49) BTKLCKRAF1BRAFMAPT
SCHEMBL3825382 0.92 LCK (0.51) BTKLCKRAF1BRAFMAPT
SCHEMBL3832182 0.89 MAPT (0.50) BTKLCKRAF1BRAFMAPT
SCHEMBL3824381 0.86 LCK (0.44) BTKLCKRAF1BRAFMAPT
SCHEMBL3829474 0.85 LCK (0.48) BTKLCKBLKCSF1RDAPK1
SCHEMBL3832068 0.85 LCK (0.49) BTKLCKRAF1BRAFCSF1R
SCHEMBL3828846 0.85 BTK (0.44) BTKLCKRAF1BRAFMAPT
SCHEMBL3825451 0.83 BTK (0.51) BTKLCKMAPTGAAMAPK1
SCHEMBL3825482 0.82 TNK2 (0.50) BTKLCKMAPTGAAMAPK1
SCHEMBL3827768 0.82 LCK (0.44) BTKLCKMAPTGAAMAPK1

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