SCHEMBL4251371

SCHEMBL4251371

Cc1cnc(Nc2ccc(OCCC3CCCN3)cc2)nc1-c1ccc(Nc2cccc(C(C)(C)C)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.39
JAK3 P52333 7/20 0.39
BRD4 O60885 6/20 0.39
BRDT Q58F21 2/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
SYK P43405 5/20 0.39
JAK1 P23458 4/20 0.39
TYK2 P29597 4/20 0.39
AXL P30530 3/20 0.39
KCNH2 Q12809 3/20 0.39
AURKB Q96GD4 3/20 0.39
YES1 P07947 2/20 0.39
PDGFRB P09619 2/20 0.39
EPHB4 P54760 2/20 0.39
PLK4 O00444 2/20 0.39
CHEK1 O14757 2/20 0.39
AURKA O14965 2/20 0.39
DCLK1 O15075 2/20 0.39
DAPK3 O43293 2/20 0.39

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
SCHEMBL3965488 0.90 CHRNA1 (0.41) JAK2JAK3BRD4BRDTBRD2
SCHEMBL3971087 0.90 AXL (0.41) JAK2JAK3BRD4JAK1TYK2
SCHEMBL3969743 0.85 AXL (0.42) JAK2JAK3BRD4JAK1TYK2
SCHEMBL3971085 0.84 AXL (0.51) JAK2JAK3BRD4BRDTBRD2
SCHEMBL13881485 0.84 JAK3 (0.56) JAK2JAK3BRD4BRDTBRD2
SCHEMBL3965200 0.83 AXL (0.41) JAK2JAK3BRD4BRDTBRD2
SCHEMBL3967985 0.82 AXL (0.39) JAK2JAK3BRD4JAK1TYK2
SCHEMBL3967433 0.82 AXL (0.44) JAK2JAK3BRD4JAK1TYK2
SCHEMBL3967352 0.80 CHEK1 (0.39) JAK2JAK3BRD4BRDTSYK
SCHEMBL3966066 0.80 AXL (0.41) JAK2JAK3BRD4BRDTBRD2

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-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