SCHEMBL2013576

SCHEMBL2013576

O=CCc1cc(Cl)c2cccnc2c1N1CCN(C2CCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.42
KDM4E B2RXH2 5/20 0.40
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 5/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
RAB9A P51151 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
NOD2 Q9HC29 1/20 0.40
HTT P42858 4/20 0.39
HSP90AA1 P07900 2/20 0.39
HTR1A P08908 2/20 0.38
ADRA2A P08913 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL2013361 0.97 METAP2 (0.43) METAP2KDM4EMAPTNPSR1LMNA
SCHEMBL2014016 0.96 MAPT (0.41) METAP2KDM4EMAPTNPSR1LMNA
SCHEMBL2013524 0.88 HTR1A (0.42) KDM4ENPSR1LMNAL3MBTL1HTR1A
SCHEMBL2013917 0.85 METAP2 (0.43) METAP2KDM4EMAPTNPSR1LMNA
SCHEMBL2015675 0.84 METAP2 (0.43) METAP2KDM4EMAPTNPSR1LMNA
SCHEMBL2013450 0.84 IDE (0.45) METAP2KDM4EMAPTNPSR1LMNA
SCHEMBL2011899 0.82 ALDH1A1 (0.44) METAP2KDM4EMAPTNPSR1LMNA
SCHEMBL2016552 0.82 METAP2 (0.43) METAP2KDM4EMAPTNPSR1LMNA
SCHEMBL2012485 0.82 METAP2 (0.41) METAP2KDM4EMAPTNPSR1LMNA
SCHEMBL2012631 0.82 MAPT (0.40) METAP2KDM4EMAPTNPSR1LMNA

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