SCHEMBL8685471

SCHEMBL8685471

O=C(Nc1cnccn1)N(S)C1CC1c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
GSK3A P49840 3/20 0.40
GSK3B P49841 3/20 0.40
CDK5 Q00535 3/20 0.40
PRKD3 O94806 2/20 0.40
MAP4K4 O95819 2/20 0.40
CDK1 P06493 2/20 0.40
CDK2 P24941 2/20 0.40
FLT4 P35916 2/20 0.40
KDR P35968 2/20 0.40
CSNK1D P48730 2/20 0.40
CLK2 P49760 2/20 0.40
CSNK2A1 P68400 2/20 0.40
STK3 Q13188 2/20 0.40
DYRK1A Q13627 2/20 0.40
PIM3 Q86V86 2/20 0.40
MINK1 Q8N4C8 2/20 0.40
HIPK4 Q8NE63 2/20 0.40
AURKB Q96GD4 2/20 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
SCHEMBL8687839 0.75 KDM4E (0.44) KMT2AMEN1FAAHTSHRKDM4E
SCHEMBL8685466 0.72 KDM1A (0.41) KMT2AMEN1GSK3AGSK3BCDK5
SCHEMBL8685463 0.72 KDM1A (0.41) KMT2AMEN1GSK3AGSK3BCDK5
SCHEMBL6905603 0.70 RAB9A (0.43) KMT2AMEN1CDK5MAPK1TSHR
SCHEMBL6958387 0.68 GSK3A (0.46) KMT2AMEN1GSK3AGSK3BCDK5
SCHEMBL9579767 0.65 ALDH1A1 (0.46) KMT2AMEN1MAPK1TSHRKDM4E
SCHEMBL8892923 0.65 MEN1 (0.51) KMT2AMEN1TSHRGAAHTT
SCHEMBL998965 0.61 TSHR (0.49) KMT2AMEN1CDK5TSHRKDM4E
SCHEMBL15178004 0.61 DEGS1 (0.54) KDM4EGAAHSD17B10ALDH1A1RAB9A
SCHEMBL45148 0.60 KMT2A (0.73) KMT2AMEN1TSHRKDM4EHSD17B10

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-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed