SCHEMBL3971225

SCHEMBL3971225

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1-c1ccc(-c2cc(OC(C)C)ccc2F)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.61
SRC P12931 10/20 0.49
JAK2 O60674 9/20 0.49
JAK3 P52333 8/20 0.49
JAK1 P23458 6/20 0.49
BRD4 O60885 5/20 0.49
HDAC1 Q13547 3/20 0.49
TYK2 P29597 3/20 0.49
RET P07949 2/20 0.49
FLT3 P36888 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PDGFRB P09619 2/20 0.46
BRDT Q58F21 2/20 0.45
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
BMPR1B O00238 1/20 0.44
PLK4 O00444 1/20 0.44
STK25 O00506 1/20 0.44
CIT O14578 1/20 0.44

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
SCHEMBL13881584 0.87 AXL (0.56) AXLSRCJAK2JAK3JAK1
SCHEMBL3965819 0.87 AXL (0.52) AXLSRCJAK2JAK3JAK1
SCHEMBL3972541 0.83 AXL (0.53) AXLSRCJAK2JAK3JAK1
SCHEMBL3968117 0.83 AXL (0.62) AXLSRCJAK2JAK3JAK1
SCHEMBL3967418 0.82 AXL (0.51) AXLSRCJAK2JAK3JAK1
SCHEMBL3971111 0.82 AXL (0.55) AXLSRCJAK2JAK3JAK1
SCHEMBL13881537 0.81 AXL (0.60) AXLSRCJAK2JAK3JAK1
SCHEMBL13881557 0.81 AXL (0.60) AXLSRCJAK2JAK3JAK1
SCHEMBL3966017 0.81 AXL (0.58) AXLSRCJAK2JAK3JAK1
SCHEMBL13881535 0.81 AXL (0.59) AXLSRCJAK2JAK3JAK1

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