SCHEMBL3829532

SCHEMBL3829532

Cc1ccc(NC(=O)c2cc(NCCN(C)C)cc(C(F)(F)F)c2)cc1-n1c(C)c2cnc(Nc3cccc(N(C)C)c3)nc2nc1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.46
LCK P06239 3/20 0.46
TNK2 Q07912 4/20 0.43
MAP4K2 Q12851 4/20 0.43
ABL1 P00519 2/20 0.43
BLK P51451 1/20 0.41
TEK Q02763 1/20 0.41
BMX P51813 2/20 0.41
BCR P11274 1/20 0.41
RIPK1 Q13546 1/20 0.41
RIPK3 Q9Y572 1/20 0.41
JAK2 O60674 3/20 0.40
SYK P43405 2/20 0.40
SRC P12931 2/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3830617 0.89 TNK2 (0.53) BTKLCKTNK2MAP4K2ABL1
SCHEMBL3825165 0.83 BTK (0.55) BTKLCKTNK2MAP4K2ABL1
SCHEMBL3824862 0.83 BTK (0.53) BTKLCKTNK2MAP4K2ABL1
SCHEMBL3825557 0.82 JAK2 (0.54) BTKLCKTNK2MAP4K2ABL1
SCHEMBL3832024 0.81 BTK (0.51) BTKLCKTNK2MAP4K2ABL1
SCHEMBL3825439 0.81 ABL1 (0.46) LCKTNK2MAP4K2ABL1TEK
SCHEMBL3827773 0.81 BTK (0.52) BTKLCKTNK2MAP4K2ABL1
SCHEMBL3130511 0.81 TNK2 (0.69) LCKTNK2MAP4K2ABL1TEK
SCHEMBL3829290 0.80 TNK2 (0.63) BTKLCKTNK2MAP4K2ABL1
SCHEMBL3825176 0.80 BTK (0.53) BTKLCKTNK2MAP4K2ABL1

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 7 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
EP-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 EP disclosed
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 EP disclosed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 WO disclosed