SCHEMBL7940120

SCHEMBL7940120

Nc1nc(Nc2ccccc2)nc2c(N)ncnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.54
KMT2A Q03164 5/20 0.51
MAPT P10636 4/20 0.51
GAA P10253 3/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
NFKB1 P19838 2/20 0.51
MAPK1 P28482 2/20 0.51
TAAR1 Q96RJ0 2/20 0.51
PKM P14618 2/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ADORA3 P0DMS8 2/20 0.51
ADORA2A P29274 2/20 0.51

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
SCHEMBL16147018 0.73 GAA (0.50) BCL6KMT2AMAPTGAAMEN1
SCHEMBL7937469 0.72 EGFR (0.55) BCL6KMT2AMAPTGAAMEN1
SCHEMBL824411 0.70 BCL6 (0.74) BCL6KMT2AMAPTGAAMEN1
SCHEMBL8908340 0.70 GAA (0.71) BCL6KMT2AMAPTGAAMEN1
Amanozine SCHEMBL30264199 0.70 BCL6 (1.00) BCL6KMT2AMAPTGAAMEN1
Amanozine SCHEMBL689928 0.70 BCL6 (1.00) BCL6KMT2AMAPTGAAMEN1
SCHEMBL19888908 0.70 CDK2 (0.50) BCL6KMT2AMAPTGAAMEN1
SCHEMBL19302902 0.70 ADORA2A (0.58) KMT2AMAPTGAAMEN1KDM4E
SCHEMBL633400 0.70 MEN1 (0.77) KMT2AMAPTGAAMEN1KDM4E
SCHEMBL20953571 0.69 RAB9A (0.59) BCL6KMT2AMAPTGAAMEN1

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-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 US disclosed