SCHEMBL2014280

SCHEMBL2014280

O=CCc1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2cccnc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.52
PKM P14618 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 3/20 0.42
FABP6 P51161 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2016804 0.92 SLC6A7 (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2013930 0.92 AKR1C3 (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2015058 0.88 GBA1 (0.45) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2013896 0.87 MAPT (0.52) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL2013318 0.87 L3MBTL1 (0.53) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2017795 0.87 MEN1 (0.52) MEN1KMT2AMAPTPKMALDH1A1
SCHEMBL2015986 0.85 L3MBTL1 (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2011899 0.84 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2015083 0.83 ALDH1A1 (0.54) KMT2AMAPTALDH1A1LMNAL3MBTL1
SCHEMBL2013450 0.82 IDE (0.45) MEN1KMT2AMAPTALDH1A1LMNA

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-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed