SCHEMBL2015675

SCHEMBL2015675

NCCc1cc(Cl)c2cccnc2c1N1CCN(C2CCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.43
KDM4E B2RXH2 5/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
RAB9A P51151 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
NOD2 Q9HC29 1/20 0.41
HTT P42858 3/20 0.40
HSP90AA1 P07900 2/20 0.40
HTR1A P08908 4/20 0.39
DRD4 P21917 2/20 0.39
ADRA2A P08913 1/20 0.39
HTR2A P28223 1/20 0.39
ALDH1A1 P00352 1/20 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
SCHEMBL2017390 0.97 METAP2 (0.44) METAP2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL2012338 0.96 KDM4E (0.42) METAP2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL2018094 0.88 HTR1A (0.43) KDM4ELMNANPSR1L3MBTL1HTT
SCHEMBL2019128 0.85 METAP2 (0.44) METAP2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL2013576 0.84 METAP2 (0.42) METAP2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL2016559 0.83 IDE (0.45) METAP2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL2016017 0.82 METAP2 (0.45) METAP2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL2018508 0.82 KDM4E (0.43) METAP2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL2013361 0.82 METAP2 (0.43) METAP2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL2013467 0.81 SMN1; SMN2 (0.41) METAP2KDM4ELMNAMAPTSMN1; SMN2

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