SCHEMBL28115352

SCHEMBL28115352

CCONC(=O)c1c(Cc2ccccc2)[nH]c2ccc(C(=O)N3CCOCC3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.56
JAK1 P23458 5/20 0.56
TYK2 P29597 5/20 0.56
JAK3 P52333 5/20 0.56
HSD17B10 Q99714 2/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
BTK Q06187 2/20 0.44
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL28115351 0.79 JAK2 (0.60) JAK2JAK1TYK2JAK3HSD17B10
SCHEMBL27833940 0.73 JAK2 (0.76) JAK2JAK1TYK2JAK3HSD17B10
SCHEMBL140896 0.72 JAK2 (1.00) JAK2JAK1TYK2JAK3BTK
SCHEMBL3986640 0.67 JAK2 (0.50) JAK2JAK1TYK2JAK3PDE3B
SCHEMBL28837064 0.67 L3MBTL1 (0.51) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL28115356 0.67 CNR2 (0.45) HSD17B10LMNAMAPTHPGDNPC1
SCHEMBL13598015 0.67 SERPINE1 (0.47) JAK2JAK1TYK2JAK3PDE3B
SCHEMBL3379271 0.66 MAPK1 (0.65) HSD17B10LMNAHPGDHTTRAB9A
SCHEMBL27997819 0.65 JAK2 (0.60) JAK2JAK1TYK2JAK3BTK
SCHEMBL10272898 0.65 RAB9A (0.65) HSD17B10KDM4EHPGDNPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106243012-A New indole analog derivative and preparation method thereof 北方民族大学 2016-12-21 CN disclosed