SCHEMBL3374887

SCHEMBL3374887

Cc1ccc(C(=O)N2C[C](n3cc(-c4ncnc5[nH]ccc45)cn3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.47
JAK1 P23458 10/20 0.46
HDAC6 Q9UBN7 7/20 0.46
HDAC1 Q13547 6/20 0.45
HDAC3 O15379 2/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
NCOR2 Q9Y618 2/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 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
SCHEMBL3375096 0.90 JAK2 (0.54) JAK2JAK1HDAC6HDAC1HDAC3
SCHEMBL3376933 0.89 JAK2 (0.48) JAK2JAK1HDAC6HDAC1HDAC3
SCHEMBL3374827 0.85 JAK2 (0.47) JAK2JAK1HDAC6HDAC1HDAC3
SCHEMBL4102998 0.83 JAK2 (0.46) JAK2JAK1HDAC6HDAC1HDAC3
SCHEMBL3374026 0.82 JAK2 (0.51) JAK2JAK1HDAC6HDAC1HDAC3
SCHEMBL3374890 0.82 JAK2 (0.49) JAK2JAK1HDAC6HDAC1HDAC3
SCHEMBL3373924 0.81 JAK2 (0.44) JAK2JAK1HDAC6HDAC1HDAC3
SCHEMBL17387451 0.80 JAK2 (0.67) JAK2JAK1
SCHEMBL14563474 0.79 JAK2 (0.66) JAK2JAK1
SCHEMBL17957103 0.79 JAK2 (0.67) 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