SCHEMBL28121983

SCHEMBL28121983

Cln1cc(Br)c2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.47
▸ ELANE P08246 2/20 0.43
▸ AXL P30530 2/20 0.39
▸ KDM4E B2RXH2 6/20 0.37
▸ MAPT P10636 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HSP90AA1 P07900 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ TDP2 O95551 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL13061603 0.77 ELANE (0.43) SLC22A12ELANEAXLKDM4EMAPT
SCHEMBL28108747 0.77 ELANE (0.43) SLC22A12ELANEKDM4EMAPTMEN1
SCHEMBL18633919 0.77 ELANE (0.43) SLC22A12ELANEAXLKDM4EMAPT
SCHEMBL1892910 0.77 DYRK1A (0.49) SLC22A12ELANEAXLKDM4EMAPT
SCHEMBL30731192 0.77 DYRK1A (0.49) SLC22A12ELANEAXLKDM4EMAPT
SCHEMBL12146948 0.77 ELANE (0.43) SLC22A12ELANEAXLKDM4EMAPT
SCHEMBL20689593 0.74 ELANE (0.45) SLC22A12ELANEAXLKDM4EMAPT
SCHEMBL19787924 0.73 PDE4A (0.47) SLC22A12ELANEKDM4EKMT2AALDH1A1
SCHEMBL20319691 0.73 ELANE (0.41) SLC22A12ELANEAXLKDM4EMAPT
SCHEMBL28049881 0.73 ELANE (0.57) ELANE

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-106432311-A Processes and intermediates for producing azaindoles 沃泰克斯药物股份有限公司 2017-02-22 — — CN disclosed
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