SCHEMBL3376933

SCHEMBL3376933

Cc1cccc(C(=O)N2C[C](n3cc(-c4ncnc5[nH]ccc45)cn3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.48
JAK1 P23458 10/20 0.48
JAK3 P52333 2/20 0.43
MELK Q14680 1/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC3 O15379 1/20 0.42
TYK2 P29597 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 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
SCHEMBL3374887 0.89 JAK2 (0.47) JAK2JAK1JAK3HDAC6HDAC1
SCHEMBL3375096 0.89 JAK2 (0.54) JAK2JAK1JAK3HDAC6HDAC1
SCHEMBL3374827 0.85 JAK2 (0.47) JAK2JAK1JAK3HDAC6HDAC1
SCHEMBL3376937 0.83 JAK2 (0.50) JAK2JAK1
SCHEMBL14563895 0.80 JAK2 (0.70) JAK2JAK1
SCHEMBL4102998 0.80 JAK2 (0.46) JAK2JAK1JAK3HDAC6HDAC1
SCHEMBL3377503 0.80 JAK1 (0.43) JAK2JAK1JAK3HDAC6HDAC1
SCHEMBL17957109 0.80 JAK2 (0.68) JAK2JAK1
SCHEMBL17957100 0.80 JAK2 (0.68) JAK2JAK1
SCHEMBL19808798 0.79 JAK2 (0.70) JAK2JAK1

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
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO disclosed
WO-2010039939-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2010-04-08 WO disclosed