SCHEMBL4081315

SCHEMBL4081315

CCCCc1c(-c2ccc(-c3nc(Nc4ccc(CN5CCCCC5)cc4)ncc3C)s2)cccc1S(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AXL P30530 12/20 0.46
CDK1 P06493 2/20 0.40
KDR P35968 2/20 0.40
JAK2 O60674 3/20 0.39
JAK3 P52333 2/20 0.39
PTK2 Q05397 2/20 0.38
FLT3 P36888 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35

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
SCHEMBL4081321 0.78 AXL (0.48) AXLCDK1KDRJAK2JAK3
SCHEMBL13881489 0.76 BRD4 (0.54) AXLCDK1KDRJAK2JAK3
SCHEMBL13881583 0.75 AXL (0.54) AXLCDK1KDRJAK2JAK3
SCHEMBL4085714 0.74 JAK1 (0.38) CDK1KDRJAK2JAK3PTK2
SCHEMBL3964134 0.72 AXL (0.46) AXLCDK1KDRJAK2JAK3
SCHEMBL3965863 0.71 JAK3 (0.61) AXLKDRJAK2JAK3PTK2
SCHEMBL2723335 0.70 JAK3 (0.61) AXLCDK1KDRJAK2JAK3
Hydrochloric Acid SCHEMBL2730396 0.69 JAK3 (0.59) AXLCDK1KDRJAK2JAK3
SCHEMBL3971111 0.68 AXL (0.55) AXLKDRJAK2JAK3PTK2
SCHEMBL3971237 0.67 AXL (0.53) AXLCDK1KDRJAK2JAK3

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