SCHEMBL17028871

SCHEMBL17028871

FC(F)(F)c1cccc(-c2cn[c]s2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
SCN2A Q99250 2/20 0.45
NOTUM Q6P988 2/20 0.43
DYRK1A Q13627 4/20 0.43
DYRK2 Q92630 4/20 0.43
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
CDK5 Q00535 3/20 0.42
CDK5R1 Q15078 3/20 0.42
DYRK1B Q9Y463 3/20 0.42
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
XDH P47989 1/20 0.41
CTSS P25774 1/20 0.41
EPHX2 P34913 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ATM Q13315 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
SCHEMBL2749904 0.84 IKBKB (0.33) DYRK1ACDK2CDK5
SCHEMBL9955273 0.79 HSD17B1 (0.45) IDO1NOTUM
SCHEMBL69540 0.78 KDR (0.40) ALDH1A1ATMMAPK1RAB9A
SCHEMBL4867372 0.76 MAP4K4 (0.47) DYRK1ADYRK2CCNA2CDK2CDK5
SCHEMBL1900288 0.76 BACE1 (0.41) IDO1SCN2ANOTUMDYRK1ADYRK2
SCHEMBL2897272 0.76 IDO1 (0.41) IDO1XDHADORA1ALDH1A1RAB9A
SCHEMBL2751320 0.74 FEN1 (0.41) GAA
SCHEMBL1892139 0.74 IDO1 (0.50) IDO1SCN2ANOTUMDYRK1ADYRK2
SCHEMBL29678302 0.73 TSHR (0.58) IDO1SCN2ANOTUMCTSSALDH1A1
SCHEMBL1263144 0.73 TSHR (0.58) IDO1SCN2ANOTUMCTSSALDH1A1

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-2015124606-A1 N-SUBSTITUTED IMINO HETEROCYCLIC COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2015-08-27 WO disclosed