SCHEMBL11488797

SCHEMBL11488797

CCOC(=O)[C@H](O)c1ccc(-n2cccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
GCGR P47871 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
NOTUM Q6P988 1/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRNA7 P36544 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
TNIK Q9UKE5 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 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
SCHEMBL11488794 1.00 JAK2 (0.46) JAK2JAK3RXFP1GCGRKDM4E
SCHEMBL11487263 0.86 JAK2 (0.46) JAK2JAK3RXFP1GCGRKDM4E
SCHEMBL11486278 0.85 NOTUM (0.45) JAK2JAK3RXFP1GCGRKDM4E
SCHEMBL11492862 0.80 MAPK1 (0.50) GCGRKDM4EALDH1A1MAPK1NOTUM
SCHEMBL11492867 0.80 MAPK1 (0.50) GCGRKDM4EALDH1A1MAPK1NOTUM
SCHEMBL7670225 0.79 LMNA (0.51) JAK2JAK3RXFP1GCGRKDM4E
SCHEMBL1363765 0.79 RXFP1 (0.61) JAK2JAK3RXFP1KDM4EALDH1A1
SCHEMBL11438726 0.79 ALDH1A1 (0.60) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL3944862 0.77 PPARG (0.53) JAK2JAK3RXFP1KDM4EALDH1A1
SCHEMBL2570519 0.76 JAK2 (0.42) JAK2JAK3RXFP1GCGRKDM4E

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
US-4239901-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1980-12-16 US disclosed