SCHEMBL6980640

SCHEMBL6980640

CCCCn1c(N)c(N)c2nc3ccccc3nc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 3/20 0.70
KDM4E B2RXH2 13/20 0.64
ALDH1A1 P00352 13/20 0.64
GAA P10253 12/20 0.64
HPGD P15428 11/20 0.64
GLA P06280 10/20 0.64
MAPT P10636 9/20 0.64
CASP1 P29466 7/20 0.64
CASP7 P55210 7/20 0.64
HSD17B10 Q99714 7/20 0.64
SAE1 Q9UBE0 3/20 0.64
UBA2 Q9UBT2 3/20 0.64
POLB P06746 1/20 0.64
HTT P42858 3/20 0.60
LMNA P02545 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
RAB9A P51151 1/20 0.60
KMT2A Q03164 8/20 0.57
THRB P10828 4/20 0.57
NSD2 O96028 2/20 0.57

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
SCHEMBL30656632 0.82 GRK6 (1.00) GRK6KDM4EALDH1A1GAAHPGD
SCHEMBL6981091 0.82 GRK6 (1.00) GRK6KDM4EALDH1A1GAAHPGD
SCHEMBL14907744 0.79 GRK6 (1.00) GRK6KDM4EALDH1A1GAAHPGD
SCHEMBL15256916 0.79 KDM4E (0.62) GRK6KDM4EALDH1A1GAAHPGD
SCHEMBL15256914 0.79 SAE1 (1.00) GRK6KDM4EALDH1A1GAAHPGD
SCHEMBL8163981 0.78 KDM4E (0.73) GRK6KDM4EALDH1A1GAAHPGD
SCHEMBL5527836 0.78 TSHR (0.83) GRK6KDM4EALDH1A1GAAHPGD
SCHEMBL17538610 0.78 TOP2A (0.61) GRK6KDM4EALDH1A1GAAHPGD
SCHEMBL14907745 0.78 GRK6 (1.00) GRK6KDM4EALDH1A1GAAHPGD
SCHEMBL18153563 0.78 KDM4E (0.74) GRK6KDM4EALDH1A1GAAHPGD

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-2012064897-A2 BICYCLIC AND TRICYCLIC INHIBITORS OF SUMOYLATION ENZYMES AND METHODS FOR THEIR USE CHEN YUAN (US) 2012-05-18 WO disclosed