SCHEMBL6684888

SCHEMBL6684888

Cc1ccc(-c2n[nH]c3ncnc(Nc4ccccc4)c23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.52
ABL1 P00519 4/20 0.52
PRKCA P17252 3/20 0.52
ABL2 P42684 2/20 0.52
SRC P12931 1/20 0.49
MAPK1 P28482 4/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
CASP3 P42574 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL6235344 0.90 EGFR (0.55) EGFRABL1PRKCAABL2SRC
SCHEMBL19507722 0.88 EGFR (0.49) EGFRABL1PRKCAABL2SRC
SCHEMBL6686751 0.87 EGFR (0.52) EGFRABL1PRKCAABL2SRC
SCHEMBL6684639 0.86 LMNA (0.57) EGFRABL1PRKCAABL2SRC
SCHEMBL6681340 0.85 FGFR1 (0.57) EGFRABL1PRKCAMAPK1MAPT
SCHEMBL13861667 0.85 TTBK1 (0.52) EGFRABL1PRKCAABL2SRC
SCHEMBL19507769 0.82 EGFR (0.52) EGFRABL1PRKCASRCCDK1
SCHEMBL6682618 0.82 EGFR (0.49) EGFRABL1PRKCASRCCDK1
SCHEMBL6689654 0.81 FGFR1 (0.57) EGFRABL1PRKCAMAPK1MAPT
SCHEMBL6238000 0.79 ABCG2 (0.51) EGFRABL1PRKCAABL2SRC

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-0832092-B1 ORALLY ACTIVE ADENOSINE KINASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2004-11-17 EP disclosed
EP-0832092-A1 ORALLY ACTIVE ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 EP disclosed
WO-1996040706-A1 ORALLY ACTIVE ADENOSINE KINASE INHIBITORS GENSIA-SICOR (US) 1996-12-19 WO disclosed