SCHEMBL4074376

SCHEMBL4074376

Cc1ccnc(Nc2ccc(OCCN3CCCC3)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.62
BRAF P15056 1/20 0.56
JAK2 O60674 5/20 0.56
JAK3 P52333 5/20 0.56
JAK1 P23458 2/20 0.56
TYK2 P29597 2/20 0.56
BRD4 O60885 1/20 0.56
RET P07949 1/20 0.56
FLT3 P36888 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
AXL P30530 5/20 0.54
BACE1 P56817 2/20 0.54
SRC P12931 6/20 0.54
KDR P35968 3/20 0.53
YES1 P07947 2/20 0.53
EPHB4 P54760 2/20 0.53
EGFR P00533 2/20 0.52
TEK Q02763 2/20 0.52

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
SCHEMBL12278133 0.86 HRH3 (0.69) HRH3BRAFJAK2JAK3JAK1
SCHEMBL4254804 0.84 AXL (0.64) HRH3BRAFJAK2JAK3AXL
SCHEMBL270635 0.84 MEN1 (0.67) HRH3BRAFJAK2JAK3JAK1
SCHEMBL12109533 0.82 HRH3 (0.77) HRH3BRAFJAK2JAK3AXL
SCHEMBL31745353 0.81 JAK1 (0.59) HRH3BRAFJAK2JAK3JAK1
SCHEMBL12278016 0.81 HRH3 (0.63) HRH3BRAFJAK2JAK3JAK1
SCHEMBL3973092 0.81 SRC (0.65) HRH3BRAFJAK2JAK3JAK1
SCHEMBL3963144 0.80 AXL (0.68) HRH3BRAFJAK2JAK3JAK1
SCHEMBL270422 0.80 JAK1 (0.63) HRH3BRAFJAK2JAK3JAK1
SCHEMBL3968637 0.80 JAK1 (0.69) HRH3BRAFJAK2JAK3JAK1

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 claimed