SCHEMBL5332098

SCHEMBL5332098

COc1ccc(OC)c(Nc2cncc3sccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
GAA P10253 5/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
USP2 O75604 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK1 P28482 2/20 0.48
ABL1 P00519 1/20 0.48
NTRK1 P04629 1/20 0.48
YES1 P07947 1/20 0.48
PIM1 P11309 1/20 0.48
KDR P35968 1/20 0.48
HIPK1 Q86Z02 1/20 0.48
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
CSNK2A1 P68400 2/20 0.45
HSD17B10 Q99714 1/20 0.45
EGFR P00533 3/20 0.43
ERBB3 P21860 3/20 0.43

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
SCHEMBL5333560 0.90 MEN1 (0.55) MEN1KMT2AGAAMAPTLMNA
SCHEMBL5337352 0.88 GAA (0.43) MEN1KMT2AGAAMAPTLMNA
SCHEMBL5339343 0.87 ICAM1 (0.42) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL5330795 0.86 IRAK4 (0.47) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL5313426 0.83 PTGS1 (0.46) MEN1KMT2AGAAMAPTUSP2
SCHEMBL5331010 0.82 CSNK2A1 (0.51) MEN1KMT2AGAAMAPTLMNA
SCHEMBL5317673 0.81 TSHR (0.42) GAAMAPTLMNAL3MBTL1MAPK1
SCHEMBL5315121 0.81 GAA (0.48) MEN1KMT2AGAAMAPTLMNA
SCHEMBL5329633 0.81 KMT2A (0.52) MEN1KMT2AEGFR
SCHEMBL5335650 0.80 EPAS1 (0.43) MEN1KMT2AMAPTKDRTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007056215-A9 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA INC (US) 2007-09-13 WO claimed
WO-2007056215-A9 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA INC (US) 2007-09-13 WO disclosed