SCHEMBL2020116

SCHEMBL2020116

NCCc1cc(Cl)c2cccnc2c1N1CCN(CCO)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.62
HTT P42858 8/20 0.62
MAPT P10636 7/20 0.62
LMNA P02545 7/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
TDP1 Q9NUW8 6/20 0.62
ALDH1A1 P00352 3/20 0.62
MPI P34949 2/20 0.62
METAP2 P50579 3/20 0.49
RAB9A P51151 6/20 0.48
NPSR1 Q6W5P4 5/20 0.48
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPK1 P28482 2/20 0.48
USP2 O75604 1/20 0.48
NOD2 Q9HC29 1/20 0.48
HSP90AA1 P07900 3/20 0.47
CDK1 P06493 1/20 0.42
NPC1 O15118 5/20 0.41
TP53 P04637 2/20 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
SCHEMBL2016454 0.87 METAP2 (0.47) KDM4EHTTMAPTLMNASMN1; SMN2
SCHEMBL2014105 0.84 MAPT (0.50) KDM4EHTTMAPTLMNASMN1; SMN2
SCHEMBL2017794 0.84 MAPT (0.61) KDM4EHTTMAPTLMNASMN1; SMN2
SCHEMBL2015395 0.83 MAPT (0.44) KDM4EHTTMAPTLMNASMN1; SMN2
SCHEMBL2016017 0.83 METAP2 (0.45) KDM4EHTTMAPTLMNASMN1; SMN2
SCHEMBL2018508 0.83 KDM4E (0.43) KDM4EHTTMAPTLMNASMN1; SMN2
SCHEMBL2012338 0.82 KDM4E (0.42) KDM4EHTTMAPTLMNASMN1; SMN2
SCHEMBL2019128 0.81 METAP2 (0.44) KDM4EHTTMAPTLMNASMN1; SMN2
SCHEMBL12403442 0.81 KDM4E (0.56) KDM4EHTTMAPTLMNASMN1; SMN2
SCHEMBL2053723 0.81 SLC2A1 (0.48) KDM4EHTTMAPTLMNASMN1; 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