SCHEMBL28061822

SCHEMBL28061822

Nc1nc(Cc2ccccc2)nc(N2CCOCC2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.73
▸ ALDH1A1 P00352 3/20 0.73
▸ RAB9A P51151 1/20 0.73
▸ CREBBP Q92793 1/20 0.73
▸ HTR6 P50406 12/20 0.71
▸ HRH4 Q9H3N8 1/20 0.71
▸ PKM P14618 2/20 0.58
▸ HTT P42858 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ HTR7 P34969 1/20 0.52
▸ GAA P10253 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ HTR2B P41595 1/20 0.51

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
SCHEMBL10016358 0.84 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1RAB9ACREBBPHTR6
SCHEMBL28692486 0.83 HTT (0.53) SMN1; SMN2ALDH1A1RAB9ACREBBPHTR6
SCHEMBL29441740 0.79 MAPT (0.62) SMN1; SMN2ALDH1A1RAB9ACREBBPHTR6
SCHEMBL5026889 0.78 HTR2C (0.57) SMN1; SMN2ALDH1A1RAB9ACREBBPHTR6
SCHEMBL13650811 0.77 HPGD (0.55) SMN1; SMN2ALDH1A1RAB9ACREBBPPKM
SCHEMBL5123188 0.77 HTR2C (0.56) SMN1; SMN2ALDH1A1RAB9ACREBBPHTR6
SCHEMBL12499681 0.77 PIK3CA (0.73) SMN1; SMN2ALDH1A1RAB9ACREBBPHRH4
SCHEMBL30192927 0.76 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1RAB9ACREBBPHRH4
SCHEMBL1443593 0.75 PIK3CA (0.61) SMN1; SMN2ALDH1A1RAB9ACREBBPPKM
SCHEMBL1396153 0.75 PKM (0.58) SMN1; SMN2ALDH1A1RAB9ACREBBPPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105503754-A 2-amino-4-benzyl-6-morpholine-1,3,5-triazine and preparing and application thereof UNIV ZHEJIANG 2016-04-20 — — CN claimed
CN-105503754-B The triazine of 2 amino, 4 benzyl, 6 morpholine 1,3,5 and its preparation and application 浙江大学 2017-11-17 — — CN disclosed
CN-105503754-A 2-amino-4-benzyl-6-morpholine-1,3,5-triazine and preparing and application thereof UNIV ZHEJIANG 2016-04-20 — — CN disclosed
CN-105503754-A 2-amino-4-benzyl-6-morpholine-1,3,5-triazine and preparing and application thereof UNIV ZHEJIANG 2016-04-20 — — CN disclosed
CN-105503754-A 2-amino-4-benzyl-6-morpholine-1,3,5-triazine and preparing and application thereof UNIV ZHEJIANG 2016-04-20 — — CN disclosed
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