SCHEMBL5331010

SCHEMBL5331010

COc1ccc(C(=O)O)cc1Nc1cncc2sccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 5/20 0.51
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PIM3 Q86V86 2/20 0.42
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 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
SCHEMBL5332098 0.82 MEN1 (0.49) CSNK2A1MAPTMEN1KMT2AMAPK1
SCHEMBL5339343 0.82 ICAM1 (0.42) MAPTHPGDMEN1KMT2ALMNA
SCHEMBL5330795 0.81 IRAK4 (0.47) MAPTHPGDMEN1KMT2AMAPK1
SCHEMBL5337352 0.79 GAA (0.43) CSNK2A1MAPTHPGDMEN1KMT2A
SCHEMBL5313426 0.78 PTGS1 (0.46) CSNK2A1MAPTHPGDMEN1KMT2A
SCHEMBL5329633 0.76 KMT2A (0.52) MEN1KMT2ARAB9A
SCHEMBL5333560 0.75 MEN1 (0.55) CSNK2A1MAPTHPGDMEN1KMT2A
SCHEMBL2935985 0.71 PIM3 (0.58) CSNK2A1MAPTHPGDMEN1KMT2A
SCHEMBL2217939 0.71 CA12 (0.65) MEN1KMT2ACA12CA1CA2
SCHEMBL5331005 0.70 CSNK2A1 (0.58) CSNK2A1MAPTHPGDCA12CA1

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-A2 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA, INC. (US) 2007-05-18 WO claimed