SCHEMBL6431994

SCHEMBL6431994

CC(C)(C)OC(=O)N(N)c1nc2nonc2nc1Nc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 4/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
CDKN1A P38936 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
POLB P06746 1/20 0.36
GRM2 Q14416 1/20 0.36
JAK2 O60674 9/20 0.35
JAK1 P23458 9/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
NPR3 P17342 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6439454 0.89 GAA (0.45) GAARECQLSMN1; SMN2TP53MAPT
SCHEMBL6435667 0.85 MAPT (0.42) GAARECQLSMN1; SMN2TP53MAPT
SCHEMBL6436802 0.82 MAPT (0.44) GAARECQLSMN1; SMN2TP53MAPT
SCHEMBL6419799 0.77 SMN1; SMN2 (0.48) GAARECQLSMN1; SMN2TP53MAPT
SCHEMBL6435103 0.74 HTT (0.33) KMT2APOLBLMNAHTTKDM4E
SCHEMBL6435528 0.72 HTT (0.32) HTT
SCHEMBL3050610 0.71 SMN1; SMN2 (0.67) GAARECQLSMN1; SMN2TP53MAPT
SCHEMBL17249530 0.68 GAA (0.66) GAARECQLSMN1; SMN2TP53MAPT
SCHEMBL8266095 0.68 SMN1; SMN2 (0.59) GAARECQLSMN1; SMN2TP53MAPT
SCHEMBL21497112 0.68 SMN1; SMN2 (0.56) GAARECQLSMN1; SMN2TP53MAPT

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-2005044270-A1 OXADIAZOLOPYRAZINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS 4SC AG (DE) 2005-05-19 WO disclosed