SCHEMBL6994498

SCHEMBL6994498

CC(C)(C)OC(=O)N(C(=N)Nc1cc2ccccc2cn1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
ABL1 P00519 8/20 0.45
CHEK1 O14757 1/20 0.44
MTOR P42345 1/20 0.43
GSK3B P49841 2/20 0.43
DYRK1A Q13627 2/20 0.43
TRPV1 Q8NER1 1/20 0.40
WNT3A P56704 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CTSK P43235 1/20 0.37
MAP3K7 O43318 1/20 0.36
MAP3K6 O95382 1/20 0.36
MAP3K5 Q99683 1/20 0.36
MAPK1 P28482 1/20 0.36
WNT1 P04628 1/20 0.36

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
SCHEMBL30636341 0.80 GSK3B (0.60) NOTUMABL1CHEK1MTORGSK3B
SCHEMBL28166698 0.80 GSK3B (0.60) NOTUMABL1CHEK1MTORGSK3B
SCHEMBL7384572 0.80 NOTUM (0.46) NOTUMABL1CHEK1MTORWNT3A
SCHEMBL9606797 0.72 CTSK (0.41) NOTUMABL1CHEK1MTORGSK3B
SCHEMBL3633134 0.71 PAX8 (0.43) NOTUMKDM4EALDH1A1
SCHEMBL2319091 0.71 NOTUM (0.56) NOTUMABL1CHEK1MTORWNT3A
SCHEMBL12376736 0.71 CHEK1 (0.56) NOTUMCHEK1MTORTRPV1WNT3A
SCHEMBL7093982 0.71 GSK3B (0.47) NOTUMABL1CHEK1MTORGSK3B
SCHEMBL7093981 0.71 GSK3B (0.47) NOTUMABL1CHEK1MTORGSK3B
SCHEMBL254369 0.70 SIGMAR1 (0.41)

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-1023268-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LTD (GB) 2003-05-21 EP disclosed