SCHEMBL3968637

SCHEMBL3968637

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 6/20 0.69
JAK2 O60674 6/20 0.69
JAK3 P52333 6/20 0.69
BRD4 O60885 5/20 0.69
HDAC1 Q13547 3/20 0.69
TYK2 P29597 3/20 0.69
RET P07949 2/20 0.69
FLT3 P36888 2/20 0.69
HDAC8 Q9BY41 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
AXL P30530 2/20 0.60
BRDT Q58F21 2/20 0.57
BRD2 P25440 1/20 0.57
BRD3 Q15059 1/20 0.57
BRAF P15056 2/20 0.56
SRC P12931 11/20 0.55
PDGFRB P09619 4/20 0.55
YES1 P07947 3/20 0.55
KDR P35968 2/20 0.55
EPHB4 P54760 2/20 0.55

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
SCHEMBL270422 0.86 JAK1 (0.63) JAK1JAK2JAK3BRD4HDAC1
SCHEMBL3963144 0.86 AXL (0.68) JAK1JAK2JAK3BRD4HDAC1
SCHEMBL12278161 0.85 JAK1 (0.71) JAK1JAK2JAK3BRD4HDAC1
SCHEMBL269991 0.84 JAK1 (0.75) JAK1JAK2JAK3BRD4HDAC1
SCHEMBL14536069 0.84 BRD4 (0.71) JAK1JAK2JAK3BRD4HDAC1
SCHEMBL265437 0.84 JAK3 (0.74) JAK1JAK2JAK3BRD4HDAC1
Hydrochloric Acid SCHEMBL265421 0.84 JAK1 (0.74) JAK1JAK2JAK3BRD4HDAC1
SCHEMBL31745353 0.83 JAK1 (0.59) JAK1JAK2JAK3BRD4HDAC1
SCHEMBL270326 0.83 BRD4 (0.73) JAK1JAK2JAK3BRD4HDAC1
SCHEMBL28677225 0.83 BRD4 (0.73) JAK1JAK2JAK3BRD4HDAC1

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
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed