SCHEMBL10869646

SCHEMBL10869646

O=C1c2cccnc2C2=NCCN12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TDP2 O95551 2/20 0.43
NSD2 O96028 2/20 0.43
PAX8 Q06710 2/20 0.43
ABL1 P00519 1/20 0.43
PLCG1 P19174 1/20 0.43
CES1 P23141 1/20 0.43
RIN1 Q13671 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.43
DNMT1 P26358 1/20 0.42
RAD52 P43351 1/20 0.42
UHRF1 Q96T88 1/20 0.42
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPRC P08575 2/20 0.40

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
SCHEMBL6334629 0.91 HDAC8 (0.47) ALDH1A1TDP2NSD2PAX8ABL1
SCHEMBL6332459 0.78 HDAC8 (0.50) ALDH1A1TDP2NSD2PAX8ABL1
SCHEMBL2493946 0.78 DNMT1 (0.62) MEN1KMT2ADNMT1RAD52UHRF1
SCHEMBL31038690 0.75 CDK5 (0.39) DNMT1RAD52UHRF1
SCHEMBL9868719 0.74 ALDH1A1 (0.43) ALDH1A1TDP2NSD2PAX8ABL1
SCHEMBL10822451 0.73 ADORA3 (0.44) DNMT1RAD52UHRF1
SCHEMBL10822464 0.72 DNMT1 (0.44) ALDH1A1GAADNMT1RAD52UHRF1
SCHEMBL9038126 0.71 ALDH1A1 (0.47) ALDH1A1TDP2NSD2PAX8ABL1
SCHEMBL11800087 0.70 TSHR (0.41) ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5322696 0.68

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-0183993-A2 2H-imidazo[1',2':1,2]pyrrolo[3,4-b]pyridines and their use as anti-weed agent F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-06-11 EP claimed