SCHEMBL7968338

SCHEMBL7968338

Cc1n[nH]c(C)c1C(=O)Nc1ccc(Nc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 2/20 0.44
AURKA O14965 4/20 0.43
AURKB Q96GD4 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.42
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
DDX3X O00571 1/20 0.41
TYK2 P29597 1/20 0.40
TSHR P16473 1/20 0.40
KIT P10721 1/20 0.40
CHEK2 O96017 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
FLT4 P35916 1/20 0.40

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
SCHEMBL6707197 0.80 AHR (0.54) SLC11A2HTTRAB9AMEN1KMT2A
SCHEMBL6707897 0.79 FLT1 (0.53) HTTRAB9AMEN1KMT2AALDH1A1
SCHEMBL4631791 0.79 AURKA (0.51) SLC11A2AURKAKDM4ERAB9AMEN1
SCHEMBL16019870 0.77 TYK2 (0.51) AURKAAURKBHTTRAB9AMEN1
SCHEMBL16019869 0.77 ITGB1 (0.47) AURKAAURKBKDM4EHTTRAB9A
SCHEMBL16019868 0.76 TYK2 (0.46) AURKAAURKBKDM4EHTTRAB9A
SCHEMBL16019866 0.75 MEN1 (0.46) AURKAAURKBKDM4ERAB9AMEN1
SCHEMBL6707922 0.74 KIF11 (0.48) AURKAHTTMEN1KMT2AALDH1A1
SCHEMBL28869489 0.73 AURKA (0.47) SLC11A2AURKAKDM4ERAB9AMEN1
Hydrochloric Acid SCHEMBL28469900 0.72 AURKA (0.46) SLC11A2AURKAKDM4ERAB9AMEN1

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
US-6316479-B1 ANTICANCER AGENTS SUGEN, INC. 2001-11-13 US disclosed