SCHEMBL17875173

SCHEMBL17875173

CC(N)(CO)OC[C@@H]1C[C@@H](n2cc(F)c3c(NCc4ccccc4)ncnc32)C[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
HTR2B P41595 2/20 0.42
ADRA2C P18825 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR6 P50406 1/20 0.42
ADK P55263 2/20 0.42
NAE1 Q13564 6/20 0.42
UBA3 Q8TBC4 5/20 0.42
TMEM97 Q5BJF2 1/20 0.39
PDE11A Q9HCR9 1/20 0.39
PRMT5 O14744 1/20 0.38
METTL3 Q86U44 1/20 0.38
LCK P06239 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
ABL2 P42684 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL12986946 0.84 NAE1 (0.59) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL191643 0.84 NAE1 (0.59) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL17866019 0.79 ADK (0.46) SIGMAR1HTR2BADRA2COPRK1HTR6
SCHEMBL17865954 0.75 ADK (0.46) SIGMAR1HTR2BADRA2COPRK1HTR6
SCHEMBL10236879 0.70 NAE1 (0.43) SIGMAR1HTR2BADRA2COPRK1HTR6
SCHEMBL17875196 0.70 NAE1 (0.51) NAE1UBA3PRMT5METTL3TP53
SCHEMBL192044 0.68 NAE1 (0.68) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL14430987 0.68 NAE1 (0.49) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL192050 0.66 NAE1 (0.61) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL25015554 0.64 METTL3 (0.47) ADKPRMT5METTL3

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
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP disclosed