SCHEMBL3963158

SCHEMBL3963158

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1-c1cc2cc(C(=O)N3CCOCC3)ccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.53
JAK3 P52333 7/20 0.53
JAK1 P23458 6/20 0.53
BRD4 O60885 5/20 0.53
HDAC1 Q13547 3/20 0.53
TYK2 P29597 3/20 0.53
RET P07949 2/20 0.53
FLT3 P36888 2/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
AXL P30530 2/20 0.49
EGFR P00533 4/20 0.44
KDR P35968 2/20 0.44
BRDT Q58F21 2/20 0.44
CDK1 P06493 1/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
SRC P12931 2/20 0.44
HRH3 Q9Y5N1 3/20 0.43
LRRK2 Q5S007 2/20 0.43

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
SCHEMBL13881588 0.85 JAK1 (0.55) JAK2JAK3JAK1BRD4HDAC1
SCHEMBL3968157 0.84 AXL (0.58) JAK2JAK3JAK1BRD4HDAC1
SCHEMBL13881452 0.83 JAK2 (0.51) JAK2JAK3JAK1BRD4HDAC1
SCHEMBL3969734 0.81 AXL (0.59) JAK2JAK3JAK1BRD4HDAC1
SCHEMBL3967636 0.81 AXL (0.55) JAK2JAK3JAK1BRD4HDAC1
SCHEMBL4210119 0.79 JAK2 (0.51) JAK2JAK3JAK1BRD4HDAC1
SCHEMBL3972528 0.78 SRC (0.58) JAK2JAK3JAK1BRD4HDAC1
SCHEMBL3963114 0.78 CDK2 (0.53) JAK2JAK3JAK1HDAC1HDAC6
SCHEMBL4069202 0.78 AXL (0.52) JAK2JAK3JAK1BRD4HDAC1
SCHEMBL3963128 0.78 AXL (0.50) JAK2JAK3JAK1BRD4HDAC1

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