SCHEMBL9536716

SCHEMBL9536716

c1ccc(-c2ncc3[nH]nnc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
HTR2C P28335 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL707361 0.79 KDM4E (0.47) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL27573173 0.78 GAA (0.45) NPC1RAB9ASMN1; SMN2MAPK1HPGD
SCHEMBL17202963 0.74 ADORA3 (0.40) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL5470494 0.74 TRPA1 (0.46) KMT2AMEN1HPGD
SCHEMBL680856 0.74 CDK2 (0.55) HPGDSNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL31224839 0.72
Hydrochloric Acid SCHEMBL4456682 0.72 CDK2 (0.54) HPGDSNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL1292908 0.72 ADORA3 (0.53) HPGDSNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL11086663 0.71 RAB9A (0.43) RAB9AKMT2AADORA3ADORA2AADORA1
SCHEMBL9119522 0.71 CDK5 (0.46) HPGDSNPC1RAB9ASMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106029666-B [1,2,4] triazolo [1,5-a ] pyrimidine derivatives as protozoan proteasome inhibitors for the treatment of parasitic diseases such as leishmaniasis 诺华股份有限公司 2018-05-18 CN disclosed
EP-3083627-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS PROTOZOAN PROTEASOME INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES SUCH AS LEISHMANIASIS Novartis AG (CH) 2016-10-26 EP disclosed
CN-106029666-A [1,2,4] triazolo [1,5-a ] pyrimidine derivatives as protozoan proteasome inhibitors for the treatment of parasitic diseases such as leishmaniasis 诺华股份有限公司 2016-10-12 CN disclosed
WO-2015095477-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS PROTOZOAN PROTEASOME INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES SUCH AS LEISHMANIASIS IRM LLC (BM) 2015-06-25 WO disclosed
EP-0353902-B1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-05 EP disclosed
US-5127936-A Substituted phenyltriazolopyrimidine herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
US-5127936-A Substituted phenyltriazolopyrimidine herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
EP-0440659-A1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-14 EP disclosed
WO-1990012012-A1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-18 WO disclosed
WO-1990001030-A1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-08 WO disclosed
EP-0353902-A1 Substituted phenyltriazolopyrimidine herbicides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-07 EP disclosed
EP-0353902-A1 Substituted phenyltriazolopyrimidine herbicides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-07 EP disclosed