SCHEMBL4735176

SCHEMBL4735176

CC(C)(C)C(=O)Nc1nc(O)c2ccsc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TYR P14679 1/20 0.38
MAPT P10636 3/20 0.38
F2 P00734 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
TP53 P04637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
TMIGD3 P0DMS9 1/20 0.36
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL4734189 0.84 KMT2A (0.46) ADORA1KMT2AMEN1POLBL3MBTL1
SCHEMBL4735595 0.73 KDR (0.38) ADORA1KMT2AMEN1POLBMAPT
SCHEMBL3801893 0.72 ADORA1 (0.44) ADORA1KMT2AMEN1POLBL3MBTL1
SCHEMBL26038538 0.70 ALDH1A1 (0.40) KMT2AMEN1POLBL3MBTL1MAPT
SCHEMBL18701492 0.70 ADORA2A (0.36) ADORA1KMT2AL3MBTL1MAPTHSD17B10
SCHEMBL16316421 0.70 ADORA1 (0.56) ADORA1KMT2AMEN1POLBL3MBTL1
SCHEMBL14208608 0.70 ADORA1 (0.38) ADORA1KMT2AMEN1POLBL3MBTL1
SCHEMBL26042354 0.68 DHODH (0.44) ADORA1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL9213881 0.68 ADORA1 (0.40) ADORA1KMT2AMEN1POLBL3MBTL1
SCHEMBL5313613 0.68 MAPK1 (0.51) ADORA1KMT2AL3MBTL1MAPTHSD17B10

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-2008059368-A2 FUSED 2-AMINO PYRIMIDINE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2008-05-22 WO disclosed