SCHEMBL5268905

SCHEMBL5268905

CCOC=Cc1ncnc2c1ccn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
RAPGEF4 Q8WZA2 1/20 0.38
PKM P14618 2/20 0.36
KDM4E B2RXH2 3/20 0.35
TSHR P16473 3/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
ALDH3A1 P30838 1/20 0.34
NOD1 Q9Y239 1/20 0.34
HTR6 P50406 3/20 0.34
BRD4 O60885 1/20 0.34
UBE2N P61088 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL16809588 0.80 L3MBTL1 (0.49) L3MBTL1RAPGEF4PKMKDM4ETSHR
SCHEMBL13494114 0.77 L3MBTL1 (0.50) L3MBTL1RAPGEF4PKMTSHRHTT
SCHEMBL260617 0.76 L3MBTL1 (0.55) L3MBTL1RAPGEF4PKMKDM4ETSHR
SCHEMBL4067920 0.76 L3MBTL1 (0.44) L3MBTL1RAPGEF4PKMKDM4ETSHR
SCHEMBL13769391 0.76 L3MBTL1 (0.46) L3MBTL1RAPGEF4KDM4ETSHRNOD1
SCHEMBL5411086 0.74 L3MBTL1 (0.50) L3MBTL1RAPGEF4PKMKDM4ETSHR
SCHEMBL24262373 0.74 L3MBTL1 (0.43) L3MBTL1RAPGEF4KDM4ETSHRHSD17B10
SCHEMBL24262374 0.74 L3MBTL1 (0.43) L3MBTL1RAPGEF4KDM4ETSHRHSD17B10
SCHEMBL30575111 0.74 L3MBTL1 (0.43) L3MBTL1RAPGEF4KDM4ETSHRHSD17B10
SCHEMBL4075074 0.74 L3MBTL1 (0.52) L3MBTL1RAPGEF4PKMKDM4ETSHR

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
EP-1844050-A1 PYRROLOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE Vertex Pharmaceuticals, Inc. (US) 2007-10-17 EP disclosed
WO-2006096270-A1 PYRROLOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-09-14 WO disclosed