SCHEMBL6686751

SCHEMBL6686751

Clc1ccc(-c2n[nH]c3ncnc(Nc4ccccc4)c23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.52
ABL1 P00519 10/20 0.52
PRKCA P17252 7/20 0.52
CDK1 P06493 5/20 0.52
SRC P12931 6/20 0.49
ABL2 P42684 2/20 0.46
DYRK3 O43781 1/20 0.46
MAP4K4 O95819 1/20 0.46
PIM1 P11309 1/20 0.46
CLK2 P49760 1/20 0.46
IRAK1 P51617 1/20 0.46
CSNK2A1 P68400 1/20 0.46
MAP4K2 Q12851 1/20 0.46
DYRK1A Q13627 1/20 0.46
PIM3 Q86V86 1/20 0.46
HIPK4 Q8NE63 1/20 0.46
AURKB Q96GD4 1/20 0.46
SRPK1 Q96SB4 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MKNK2 Q9HBH9 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
SCHEMBL6682618 0.95 EGFR (0.49) EGFRABL1PRKCACDK1SRC
SCHEMBL6235344 0.90 EGFR (0.55) EGFRABL1PRKCACDK1SRC
SCHEMBL19507722 0.88 EGFR (0.49) EGFRABL1PRKCACDK1SRC
SCHEMBL6684888 0.87 EGFR (0.52) EGFRABL1PRKCACDK1SRC
SCHEMBL13861667 0.85 TTBK1 (0.52) EGFRABL1PRKCACDK1SRC
SCHEMBL6684639 0.84 LMNA (0.57) EGFRABL1PRKCACDK1SRC
SCHEMBL8116135 0.83 EGFR (0.69) EGFRABL1PRKCACDK1SRC
SCHEMBL19507769 0.82 EGFR (0.52) EGFRABL1PRKCACDK1SRC
SCHEMBL8115158 0.81 EGFR (0.68) EGFRABL1PRKCACDK1SRC
SCHEMBL6689654 0.79 FGFR1 (0.57) EGFRABL1PRKCACDK1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832092-B1 ORALLY ACTIVE ADENOSINE KINASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2004-11-17 EP disclosed
EP-0832091-B1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR INC (US) 2004-01-14 EP disclosed