SCHEMBL9112910

SCHEMBL9112910

[CH2]CC=Cc1cccn2ccnc12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.35
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL9113364 0.81 NUDT1 (0.38) NUDT1CCNE1CDK2
SCHEMBL9114518 0.74 NUDT1 (0.41) NUDT1
SCHEMBL9111585 0.74 NUDT1 (0.41) NUDT1
SCHEMBL2317243 0.74 TRIM24 (0.41) NUDT1CCNE1CDK2HTR2A
SCHEMBL9111359 0.72 NUDT1 (0.42) NUDT1HTR2A
SCHEMBL31650435 0.71 NUDT1 (0.38) NUDT1CCNE1CDK2HTR2A
SCHEMBL9113922 0.67 NUDT1 (0.45) NUDT1HTR2A
SCHEMBL418310 0.65 NUDT1 (0.46) NUDT1HTR2A
SCHEMBL335977 0.65 NUDT1 (0.58) NUDT1
SCHEMBL3107190 0.64 NUDT1 (0.45) NUDT1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed