SCHEMBL4721138

SCHEMBL4721138

Cc1cc(-c2cnco2)cc(-c2nn(-c3cc(N4CCN(S(C)(=O)=O)CC4)ccc3S(C)(=O)=O)c(=O)c3ncccc23)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
MAPT P10636 4/20 0.34
SMO Q99835 2/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RECQL P46063 1/20 0.33
HTR6 P50406 1/20 0.33
POLB P06746 1/20 0.33
CHEK1 O14757 2/20 0.32
LRRK2 Q5S007 2/20 0.32
PIK3R2 O00459 1/20 0.32
TTK P33981 1/20 0.32
ACVR1B P36896 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVR1 Q04771 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
SCHEMBL4722717 0.92 MAPT (0.42) JAK2JAK1TYK2MAPTALDH1A1
SCHEMBL4720565 0.91 ENPP2 (0.37) MAPTSMOLMNAHTTMEN1
SCHEMBL4722942 0.90 MEN1 (0.31) JAK2JAK1TYK2MAPTLMNA
SCHEMBL4722421 0.88 SLC40A1 (0.33) MAPTLMNAMEN1KMT2A
SCHEMBL4719872 0.88 SLC40A1 (0.33) MAPTLMNAMEN1KMT2A
SCHEMBL4719871 0.88 SLC40A1 (0.33) MAPTLMNAMEN1KMT2A
SCHEMBL4724241 0.87 F10 (0.35) JAK2JAK1TYK2ALDH1A1MEN1
SCHEMBL4719881 0.86 F10 (0.38) PIK3R2
SCHEMBL4719259 0.85 L3MBTL1 (0.33) JAK2JAK1TYK2LMNAPKM
SCHEMBL4723970 0.82 SLC40A1 (0.33)

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed