SCHEMBL9769373

SCHEMBL9769373

CC1(C)CC(NC[C@H](O)c2ccc3nnnn3c2)C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 0.33
TYK2 P29597 3/20 0.33
JAK3 P52333 2/20 0.33
ADRB2 P07550 2/20 0.33
KDM4E B2RXH2 1/20 0.31
BCHE P06276 1/20 0.31
MGAM O43451 2/20 0.31
SI P14410 2/20 0.31
ADRB3 P13945 1/20 0.30

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
SCHEMBL9769377 1.00 JAK2 (0.33) JAK2JAK1TYK2JAK3ADRB2
SCHEMBL9769296 0.87 ADRB2 (0.44) JAK2JAK1TYK2JAK3ADRB2
SCHEMBL10584351 0.87 ADRB2 (0.44) JAK2JAK1TYK2JAK3ADRB2
SCHEMBL9769140 0.84 KDM4E (0.43) JAK2JAK1TYK2JAK3ADRB2
SCHEMBL9769104 0.84 KDM4E (0.46) JAK2JAK1TYK2JAK3ADRB2
SCHEMBL9769131 0.84 KDM4E (0.43) JAK2JAK1TYK2JAK3ADRB2
SCHEMBL9769111 0.84 KDM4E (0.46) JAK2JAK1TYK2JAK3ADRB2
SCHEMBL9769180 0.80
SCHEMBL9769173 0.80
SCHEMBL9769092 0.78

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-5019578-A β-adrenergic agonists MERCK & CO., INC. (US) 1991-05-28 US disclosed