SCHEMBL6684639

SCHEMBL6684639

COc1ccc(-c2n[nH]c3ncnc(Nc4ccccc4)c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
MAPT P10636 2/20 0.57
EGFR P00533 9/20 0.52
CDK1 P06493 3/20 0.52
FGFR1 P11362 1/20 0.51
ABL1 P00519 4/20 0.51
PDPK1 O15530 1/20 0.49
PRKCA P17252 3/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
HTT P42858 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TTBK1 Q5TCY1 1/20 0.47
TTBK2 Q6IQ55 1/20 0.47

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
SCHEMBL6689654 0.95 FGFR1 (0.57) LMNAMAPTEGFRCDK1FGFR1
SCHEMBL6681340 0.89 FGFR1 (0.57) LMNAMAPTEGFRCDK1FGFR1
SCHEMBL13861667 0.89 TTBK1 (0.52) LMNAMAPTEGFRCDK1ABL1
SCHEMBL6235344 0.87 EGFR (0.55) LMNAMAPTEGFRCDK1ABL1
SCHEMBL8115114 0.87 EGFR (0.70) EGFRCDK1ABL1PRKCAPDGFRB
SCHEMBL6684888 0.86 EGFR (0.52) LMNAMAPTEGFRCDK1ABL1
SCHEMBL19507722 0.84 EGFR (0.49) LMNAMAPTEGFRCDK1FGFR1
SCHEMBL6686751 0.84 EGFR (0.52) EGFRCDK1ABL1PRKCAPDGFRB
SCHEMBL19507641 0.83 MAPT (0.48) LMNAMAPTEGFRCDK1FGFR1
SCHEMBL6682618 0.79 EGFR (0.49) EGFRCDK1ABL1PRKCATTBK1

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