SCHEMBL5747136

SCHEMBL5747136

CCCCCCc1ccnc(Nc2ccc3ccccc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 2/20 0.46
MAPK10 P53779 3/20 0.45
MAPK9 P45984 2/20 0.45
EPHX1 P07099 1/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
TRPV1 Q8NER1 4/20 0.42
IGF1R P08069 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK8 P45983 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GSK3A P49840 1/20 0.39
HIPK1 Q86Z02 1/20 0.39

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
SCHEMBL5777222 0.96 RIOK2 (0.42) RIOK2MAPK10MAPK9EPHX1RAB9A
SCHEMBL5773999 0.96 RIOK2 (0.42) RIOK2MAPK10MAPK9EPHX1RAB9A
SCHEMBL5771528 0.96 RIOK2 (0.42) RIOK2MAPK10MAPK9EPHX1RAB9A
SCHEMBL5770717 0.91 RIOK2 (0.44) RIOK2MAPK10MAPK9EPHX1RAB9A
SCHEMBL5746412 0.86 TRPV1 (0.39) RIOK2TRPV1KDM4E
SCHEMBL5749407 0.86 TRPV1 (0.39) RIOK2TRPV1KDM4E
SCHEMBL5745759 0.86 TRPV1 (0.39) RIOK2TRPV1KDM4E
SCHEMBL5778696 0.86 RIOK2 (0.45) RIOK2MAPK10MAPK9RAB9ASMN1; SMN2
SCHEMBL5750951 0.85 KCNH3 (0.44) MAPK10RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL5748767 0.85 KCNH3 (0.44) MAPK10RAB9ASMN1; SMN2NPC1LMNA

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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed