SCHEMBL9834587

SCHEMBL9834587

O=C1C2=c3ccccc3=CC2=Nc2ncccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
PTPRC P08575 2/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
PTPN13 Q12923 1/20 0.37
TDP2 O95551 2/20 0.36
NSD2 O96028 2/20 0.36
PAX8 Q06710 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ABL1 P00519 1/20 0.36
PLCG1 P19174 1/20 0.36
CES1 P23141 1/20 0.36
RIN1 Q13671 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
GAA P10253 1/20 0.36
S100A4 P26447 3/20 0.33

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
SCHEMBL29541078 0.67 IDO1 (0.32) MEN1KMT2AMAPTALDH1A1
SCHEMBL607872 0.63 TDP2 (0.37) CCNA2CDK2PTPRCCTSLCTSS
SCHEMBL1749823 0.60 GAA (0.50) CCNA2CDK2PTPRCCTSLCTSS
SCHEMBL27347509 0.59 TDP2 (0.65) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL27837605 0.58
SCHEMBL10434480 0.58 TDP2 (0.49) CCNA2CDK2PTPRCCTSLCTSS
SCHEMBL27346575 0.57 PTPRC (0.71) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL5093999 0.55 TDP2 (0.38) CCNA2CDK2PTPRCCTSLCTSS
SCHEMBL9694568 0.55 GAA (0.38) CCNA2CDK2PTPRCCTSLCTSS
SCHEMBL2299734 0.55 CCNA2 (0.40) CCNA2CDK2PTPRCCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0229823-B1 POLYCYCLIC QUINOLINE, NAPHTHYRIDINE AND PYRAZINOPYRIDINE DERIVATIVES SCHERING CORPORATION (US) 1991-09-25 EP disclosed