SCHEMBL10282182

SCHEMBL10282182

CSc1nc(N)cn2ccnc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
DYRK1A Q13627 1/20 0.34
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
HTR2C P28335 1/20 0.31
TNKS O95271 1/20 0.31
CD63 P08962 1/20 0.31
SYK P43405 1/20 0.31
AURKA O14965 1/20 0.30

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
SCHEMBL13155401 0.81 L3MBTL1 (0.42) NUDT1L3MBTL1HTR2CTNKS
SCHEMBL104884 0.79 HTR2C (0.47) NUDT1L3MBTL1HTR2CTNKS
SCHEMBL13693180 0.79 L3MBTL1 (0.38) NUDT1L3MBTL1HTR2CTNKS
SCHEMBL19630404 0.77 NUDT1 (0.45) NUDT1L3MBTL1DYRK1APIK3R1PIK3CA
SCHEMBL19616357 0.76 L3MBTL1 (0.33) NUDT1L3MBTL1SYK
SCHEMBL19629178 0.76 L3MBTL1 (0.33) NUDT1L3MBTL1
SCHEMBL8240995 0.76 L3MBTL1 (0.35) NUDT1L3MBTL1
SCHEMBL104697 0.76 L3MBTL1 (0.35) NUDT1L3MBTL1
SCHEMBL19629179 0.75 L3MBTL1 (0.33) NUDT1L3MBTL1
SCHEMBL103804 0.75 NUDT1 (0.46) NUDT1L3MBTL1TNKS

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-2460805-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION Oncotherapy Science, Inc. (JP) 2012-06-06 EP disclosed