SCHEMBL3263220

SCHEMBL3263220

CCCNC(=O)c1c[nH]c(-c2ccncc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.57
RIPK1 Q13546 1/20 0.49
NAAA Q02083 1/20 0.49
NAMPT P43490 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ITK Q08881 2/20 0.41
EGLN1 Q9GZT9 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
PRKD1 Q15139 1/20 0.41

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
SCHEMBL30741076 0.83 POLB (0.55) RIPK1L3MBTL1ALDH1A1POLBKMT2A
SCHEMBL6359135 0.77 NAAA (0.75) NAAANAMPTL3MBTL1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3263728 0.77 RIPK1 (0.48) RIPK1NAAAL3MBTL1ALDH1A1KDM4E
SCHEMBL4191460 0.75 CDC7 (0.60) CDC7NAMPTALDH1A1HPGDKMT2A
SCHEMBL4181380 0.75 CDC7 (0.73) CDC7IKBKETBK1CCNCCDK8
SCHEMBL4191442 0.73 CDC7 (1.00) CDC7IKBKETBK1CCNCCDK8
SCHEMBL1851717 0.73 ALDH1A1 (0.47) L3MBTL1ALDH1A1KDM4EGAAHPGD
SCHEMBL30740962 0.70 HDAC4 (0.51) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL19076170 0.69 HDAC1 (0.64) NAAANAMPTL3MBTL1ALDH1A1KDM4E
SCHEMBL3634350 0.68 NAAA (0.87) NAAANAMPTL3MBTL1ALDH1A1KDM4E

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
WO-2010038948-A2 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2010-04-08 WO claimed
WO-2010038948-A2 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2010-04-08 WO disclosed