SCHEMBL28486140

SCHEMBL28486140

NC(=O)Oc1cncc(Nc2ccccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.43
JAK3 P52333 3/20 0.43
JAK1 P23458 2/20 0.43
TYK2 P29597 2/20 0.43
TSHR P16473 1/20 0.43
GRM5 P41594 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL28493091 0.83 JAK2 (0.43) JAK2JAK3JAK1TYK2GRM5
SCHEMBL28709275 0.82
SCHEMBL22574125 0.75 TSHR (0.50) JAK2JAK1TYK2TSHRGRM5
SCHEMBL23770974 0.74 MEN1 (0.47) TSHR
SCHEMBL4642968 0.71 ROCK2 (0.48) SIRT2LMNANPC1PKMRAB9A
SCHEMBL23771038 0.71 NAMPT (0.48) TSHRGRM5LMNANPC1PKM
SCHEMBL9572445 0.71 KMT2A (0.58) SIRT2SIRT1SIRT3
SCHEMBL23501633 0.70 MKNK1 (0.43)
SCHEMBL31359358 0.70 MKNK1 (0.43)
SCHEMBL28721656 0.69 RAB9A (0.71) GRM5LMNANPC1PKMRAB9A

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-111936484-A Chromenopyridine derivatives as inhibitors of phosphatidylinositol phosphokinase 拉文纳制药公司 2020-11-13 CN disclosed