SCHEMBL14447447

SCHEMBL14447447

c1ccc2c(c1)CC[C@@H]2Nc1ncnc2c1ccn2C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 4/20 0.60
UBA3 Q8TBC4 3/20 0.60
CA2 P00918 2/20 0.60
UBA6 A0AVT1 2/20 0.60
SAE1 Q9UBE0 2/20 0.60
GRK5 P34947 1/20 0.60
CSNK1A1 P48729 1/20 0.60
NEDD8 Q15843 1/20 0.60
UBA2 Q9UBT2 1/20 0.60
EGFR P00533 1/20 0.51
AURKA O14965 3/20 0.49
RPS6KB1 P23443 3/20 0.49
AURKB Q96GD4 1/20 0.45
ATG7 O95352 1/20 0.42
UBA7 P41226 1/20 0.42
LMNA P02545 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 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
SCHEMBL21637843 1.00 NAE1 (0.60) NAE1UBA3CA2UBA6SAE1
SCHEMBL192720 0.90 NAE1 (0.59) NAE1UBA3CA2UBA6SAE1
SCHEMBL193488 0.88 NAE1 (0.72) NAE1UBA3CA2UBA6SAE1
SCHEMBL193487 0.88 NAE1 (0.72) NAE1UBA3CA2UBA6SAE1
SCHEMBL193489 0.88 NAE1 (0.72) NAE1UBA3CA2UBA6SAE1
SCHEMBL17875199 0.86 NAE1 (0.63) NAE1UBA3CA2UBA6SAE1
SCHEMBL17866015 0.86 NAE1 (0.58) NAE1UBA3CA2UBA6SAE1
SCHEMBL17875185 0.86 NAE1 (0.63) NAE1UBA3CA2UBA6SAE1
SCHEMBL22400280 0.85 NAE1 (0.61) NAE1UBA3CA2UBA6SAE1
SCHEMBL17866022 0.84 NAE1 (0.67) NAE1UBA3CA2UBA6SAE1

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-2007092213-A2 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 WO disclosed