SCHEMBL3830617

SCHEMBL3830617

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-n1c(C)c2cnc(Nc3cccc(N(C)C)c3)nc2nc1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.53
MAP4K2 Q12851 3/20 0.53
ABL1 P00519 2/20 0.53
BTK Q06187 10/20 0.53
LCK P06239 8/20 0.53
SYK P43405 1/20 0.51
BMX P51813 2/20 0.51
BCR P11274 1/20 0.51
RIPK1 Q13546 1/20 0.51
RIPK3 Q9Y572 1/20 0.51
JAK2 O60674 4/20 0.49
SRC P12931 3/20 0.49
BLK P51451 2/20 0.49
JAK1 P23458 1/20 0.48

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
SCHEMBL3824862 0.92 BTK (0.53) TNK2MAP4K2ABL1BTKLCK
SCHEMBL3829290 0.91 TNK2 (0.63) TNK2MAP4K2ABL1BTKLCK
SCHEMBL3831916 0.91 TNK2 (0.55) TNK2MAP4K2ABL1BTKLCK
SCHEMBL3832024 0.91 BTK (0.51) TNK2MAP4K2ABL1BTKLCK
SCHEMBL3825562 0.90 TNK2 (0.55) TNK2MAP4K2ABL1BTKLCK
SCHEMBL3827680 0.90 BTK (0.62) TNK2MAP4K2ABL1BTKLCK
SCHEMBL3825557 0.90 JAK2 (0.54) TNK2MAP4K2ABL1BTKLCK
SCHEMBL3832162 0.89 TNK2 (0.54) TNK2MAP4K2ABL1BTKLCK
SCHEMBL3830962 0.89 CSF1R (0.57) TNK2MAP4K2ABL1BTKLCK
SCHEMBL3827885 0.89 TNK2 (0.55) TNK2MAP4K2ABL1BTKLCK

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 3 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 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