SCHEMBL16795145

SCHEMBL16795145

Oc1cc(Cl)cc(CN2CCC(N3CCCC3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.51
L3MBTL3 Q96JM7 4/20 0.51
MBTD1 Q05BQ5 3/20 0.51
TP53BP1 Q12888 1/20 0.46
HRH3 Q9Y5N1 3/20 0.42
BRD4 O60885 2/20 0.42
RECQL P46063 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
CCR3 P51677 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL16795119 0.81 L3MBTL1 (0.46) L3MBTL1BRD4ALDH1A1KDM4E
SCHEMBL16795141 0.79 CXCR3 (0.51) L3MBTL1
SCHEMBL16795223 0.74 SIGMAR1 (0.56)
SCHEMBL16795410 0.74 L3MBTL3 (0.42) L3MBTL1L3MBTL3MBTD1TP53BP1BRD4
SCHEMBL13990656 0.73 L3MBTL3 (0.68) L3MBTL1L3MBTL3MBTD1TP53BP1RECQL
SCHEMBL6212951 0.72 L3MBTL3 (0.66) L3MBTL1L3MBTL3MBTD1TP53BP1RECQL
SCHEMBL14981031 0.72 L3MBTL1 (0.58) L3MBTL1HRH3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL28690097 0.71 L3MBTL3 (0.64) L3MBTL1L3MBTL3MBTD1TP53BP1RECQL
SCHEMBL10264415 0.71 L3MBTL3 (0.65) L3MBTL1L3MBTL3MBTD1TP53BP1HRH3
SCHEMBL15759135 0.71 L3MBTL3 (0.65) L3MBTL1L3MBTL3MBTD1TP53BP1HRH3

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
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed