SCHEMBL14767736

SCHEMBL14767736

Cc1sc2nc(N)nc(NN)c2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
ABCB1 P08183 2/20 0.44
LIMK1 P53667 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 3/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
PRKCI P41743 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 3/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 1/20 0.36
RAF1 P04049 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1622894 0.77 ABCB1 (0.62) ADORA2AADORA1ABCB1LIMK1L3MBTL1
SCHEMBL18997462 0.74 ADORA2A (0.48) ADORA2AADORA1ABCB1LIMK1L3MBTL1
SCHEMBL6711629 0.71 SMN1; SMN2 (0.62) LIMK1L3MBTL1MAPK1GAAMAPT
SCHEMBL1622072 0.66 ABCB1 (0.62) ADORA2AADORA1ABCB1LIMK1L3MBTL1
SCHEMBL6015570 0.66 ABCB1 (0.57) ADORA2AADORA1ABCB1LIMK1L3MBTL1
SCHEMBL14767743 0.65 MAPK1 (0.42) ADORA2AMAPK1GAAMAPTKDM4E
SCHEMBL23852245 0.63 TLR8 (0.36) ADORA2AADORA1GAAMAPTKDM4E
SCHEMBL6015528 0.63 ABCB1 (0.59) ADORA2AADORA1ABCB1LIMK1L3MBTL1
SCHEMBL6015560 0.63 ABCB1 (0.59) ADORA2AADORA1ABCB1LIMK1L3MBTL1
SCHEMBL13757221 0.62 MAPK1 (0.47) ABCB1LIMK1L3MBTL1MAPK1HSD17B10

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-2573559-A1 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-27 EP disclosed
EP-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 EP disclosed