SCHEMBL5774451

SCHEMBL5774451

NC(=O)c1cc2cc3ccccc3cc2cc1Nc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.53
TYK2 P29597 4/20 0.53
JAK1 P23458 3/20 0.53
JAK3 P52333 3/20 0.53
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK10 P53779 2/20 0.48
MAPK9 P45984 1/20 0.48
GFER P55789 2/20 0.47
MAPK8 P45983 4/20 0.47
MAPT P10636 1/20 0.43
NGLY1 Q96IV0 1/20 0.43
AURKA O14965 1/20 0.42
PKM P14618 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL10837028 0.79 JAK2 (0.63) JAK2TYK2JAK1JAK3MEN1
SCHEMBL29127218 0.77 JAK2 (0.68) JAK2TYK2JAK1JAK3MEN1
SCHEMBL5914015 0.75 KMT2A (0.55) NPC1RAB9AMEN1KMT2AMAPK10
SCHEMBL9409048 0.74 MAPK10 (0.54) JAK2TYK2JAK1JAK3NPC1
SCHEMBL11665185 0.74 MEN1 (0.58) JAK2TYK2JAK1JAK3NPC1
SCHEMBL18905565 0.72 TYK2 (0.72) JAK2TYK2JAK1JAK3
SCHEMBL29421243 0.72 MAPT (0.62) JAK2TYK2JAK1JAK3NPC1
SCHEMBL11465530 0.71 JAK2 (0.49) JAK2TYK2JAK1JAK3NPC1
SCHEMBL5776205 0.70 KMT2A (0.61) NPC1RAB9AMEN1KMT2AMAPK10
SCHEMBL18894253 0.69 TYK2 (1.00) JAK2TYK2JAK1JAK3SMN1; SMN2

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