SCHEMBL3839644

SCHEMBL3839644

CN(CCc1c[nH]c2ccccc12)Cc1cc2c(c(-c3cc4cc(CN5CCCCC5)ccc4n3C(=O)OC(C)(C)C)c1)C(=O)NC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.37
BCHE P06276 2/20 0.35
ACHE P22303 1/20 0.35
KMT2A Q03164 3/20 0.34
TAAR1 Q96RJ0 1/20 0.34
NAMPT P43490 2/20 0.34
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
JAK2 O60674 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3837640 0.87 NR1H2 (0.35)
SCHEMBL3835035 0.85 PARP1 (0.34)
SCHEMBL3839726 0.85 PARP1 (0.36)
SCHEMBL3839027 0.85 PARP1 (0.37) HRH3
SCHEMBL3841105 0.84 KDM4E (0.38) ACHEKMT2AMEN1LMNAHTT
SCHEMBL3835247 0.84 PARP1 (0.37)
SCHEMBL3837845 0.84 PARP1 (0.37)
SCHEMBL3835025 0.84 PARP1 (0.40)
SCHEMBL3835632 0.84 PARP1 (0.40)
SCHEMBL3839676 0.83 EED (0.35)

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-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed