SCHEMBL29856016

SCHEMBL29856016

Cc1nc(-c2cncc(Br)c2)ncc1N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.43
PTK2 Q05397 1/20 0.41
CYP2A6 P11509 2/20 0.40
PDPK1 O15530 1/20 0.37
UHRF1 Q96T88 1/20 0.35
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PGR P06401 1/20 0.32
CYP11B1 P15538 2/20 0.32
LMNA P02545 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
SCHEMBL20839258 1.00 CYP11B2 (0.43) CYP11B2PTK2CYP2A6PDPK1UHRF1
SCHEMBL20849498 0.83 CYP2A6 (0.38) CYP11B2CYP2A6UHRF1RAB9ANPC1
SCHEMBL29856247 0.81 PIK3CA (0.39) CYP11B2CYP11B1
SCHEMBL20839320 0.81 PIK3CA (0.39) CYP11B2CYP11B1
SCHEMBL20839157 0.78 ADK (0.34) UHRF1RAB9ANPC1KDM4EPOLB
SCHEMBL6983354 0.72 PTK2 (0.49) CYP11B2PTK2CYP2A6PDPK1RAB9A
SCHEMBL6409483 0.70 L3MBTL1 (0.50) RAB9ANPC1KMT2AHTTKDM4E
SCHEMBL5799279 0.67 PTK2 (0.52) CYP11B2PTK2CYP2A6RAB9ANPC1
SCHEMBL14392676 0.67 CYP2A6 (0.61) CYP11B2PTK2CYP2A6RAB9AHTT
SCHEMBL4207138 0.67 L3MBTL1 (0.51) CYP11B2PTK2CYP2A6RAB9ANPC1

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
CN-111372455-B Herbicidally active pyridyl-/pyrimidinyl-pyrimidine derivatives 先正达参股股份有限公司 2022-10-11 CN disclosed