SCHEMBL3973092

SCHEMBL3973092

Cc1ccsc1-c1ccnc(Nc2ccc(OCCN3CCCC3)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.65
SYK P43405 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
JAK2 O60674 3/20 0.51
JAK3 P52333 3/20 0.51
JAK1 P23458 2/20 0.50
TYK2 P29597 2/20 0.50
BRD4 O60885 1/20 0.50
RET P07949 1/20 0.50
FLT3 P36888 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
YES1 P07947 2/20 0.48
KDR P35968 2/20 0.48
EPHB4 P54760 2/20 0.48
AXL P30530 2/20 0.48
BRAF P15056 1/20 0.48
PDGFRB P09619 2/20 0.47
ABL1 P00519 1/20 0.47

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
SCHEMBL3963843 0.84 SRC (0.65) SRCSYKHRH3JAK2JAK3
SCHEMBL3967643 0.82 HRH3 (0.57) SRCSYKHRH3JAK2JAK3
SCHEMBL4074376 0.81 HRH3 (0.62) SRCHRH3JAK2JAK3JAK1
SCHEMBL12278133 0.79 HRH3 (0.69) SRCSYKHRH3JAK2JAK3
SCHEMBL4265128 0.79 SRC (1.00) SRCYES1KDREPHB4PDGFRB
SCHEMBL4254804 0.76 AXL (0.64) SRCHRH3JAK2JAK3AXL
SCHEMBL12278161 0.75 JAK1 (0.71) SRCSYKHRH3JAK2JAK3
SCHEMBL270635 0.75 MEN1 (0.67) SRCSYKHRH3JAK2JAK3
SCHEMBL12109533 0.74 HRH3 (0.77) SRCSYKHRH3JAK2JAK3
SCHEMBL3968637 0.74 JAK1 (0.69) SRCSYKHRH3JAK2JAK3

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