SCHEMBL2011771

SCHEMBL2011771

COC1CCN(c2c(CCN)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.41
LMNA P02545 8/20 0.39
MAPT P10636 7/20 0.39
NPSR1 Q6W5P4 7/20 0.39
KDM4E B2RXH2 7/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
RAB9A P51151 6/20 0.39
TDP1 Q9NUW8 5/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPK1 P28482 3/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
USP2 O75604 1/20 0.39
NOD2 Q9HC29 1/20 0.39
HTT P42858 9/20 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
SCHEMBL2017653 0.94 METAP2 (0.40) METAP2LMNAMAPTNPSR1KDM4E
SCHEMBL2012021 0.88 METAP2 (0.40) METAP2LMNAMAPTNPSR1KDM4E
SCHEMBL2019128 0.87 METAP2 (0.44) METAP2LMNAMAPTNPSR1KDM4E
SCHEMBL2013738 0.87 SMN1; SMN2 (0.39) METAP2LMNAMAPTNPSR1KDM4E
SCHEMBL2018108 0.86 METAP2 (0.38) METAP2LMNAMAPTNPSR1KDM4E
SCHEMBL2012485 0.84 METAP2 (0.41) METAP2LMNAMAPTNPSR1KDM4E
SCHEMBL2018508 0.84 KDM4E (0.43) METAP2LMNAMAPTNPSR1KDM4E
SCHEMBL2013467 0.83 SMN1; SMN2 (0.41) METAP2LMNAMAPTNPSR1KDM4E
SCHEMBL2015070 0.83 METAP2 (0.40) METAP2LMNAMAPTNPSR1KDM4E
SCHEMBL2012338 0.83 KDM4E (0.42) METAP2LMNAMAPTNPSR1KDM4E

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