SCHEMBL7449902

SCHEMBL7449902

Cc1cc(NC(=O)c2nc(C)n3c2CSc2ccccc2-3)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.46
SORT1 Q99523 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATR Q13535 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
TP53 P04637 2/20 0.37
NPC1 O15118 2/20 0.37
USP2 O75604 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
LCK P06239 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL7451341 0.91 GRM5 (0.53) GRM5SORT1SMARCA2SMARCA4TP53
SCHEMBL7447799 0.87 GRM5 (0.44) GRM5SORT1MEN1KMT2AATR
SCHEMBL7458050 0.87 GRM5 (0.48) GRM5SORT1MEN1KMT2AATR
SCHEMBL7456653 0.87 GRM5 (0.44) GRM5SORT1MEN1KMT2AATR
SCHEMBL12067831 0.85 L3MBTL1 (0.45) MEN1KMT2ATP53NPC1LMNA
SCHEMBL7449344 0.82 GRM5 (0.54) GRM5SORT1MEN1KMT2ASMARCA2
SCHEMBL7454850 0.81 GRM5 (0.52) GRM5SORT1SMARCA2SMARCA4NPC1
SCHEMBL7446764 0.81 GRM5 (0.52) GRM5SORT1MEN1KMT2ASMARCA2
SCHEMBL7451159 0.79 GRM5 (0.60) GRM5SMARCA2SMARCA4
SCHEMBL7447961 0.78 GRM5 (0.45) GRM5SORT1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011151361-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-12-08 WO claimed
WO-2011151361-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-12-08 WO disclosed
WO-2011151361-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-12-08 WO disclosed