SCHEMBL3971237

SCHEMBL3971237

Cc1cnc(Nc2ccc(CN3CCOCC3)cc2)nc1-c1ccc(-c2cccc(C(C)C)c2)s1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.53
CDK1 P06493 4/20 0.46
KDR P35968 4/20 0.46
AURKA O14965 2/20 0.43
AURKB Q96GD4 1/20 0.43
EGFR P00533 2/20 0.42
JAK2 O60674 4/20 0.42
JAK3 P52333 3/20 0.42
CDK2 P24941 3/20 0.42
PTK2 Q05397 1/20 0.41
CCNA2 P20248 2/20 0.41
CCNA1 P78396 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
PLK4 O00444 1/20 0.41

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
SCHEMBL13881583 0.92 AXL (0.54) AXLCDK1KDRJAK2JAK3
SCHEMBL4079587 0.88 JAK2 (0.54) CDK1JAK2JAK3CDK2CCNA2
SCHEMBL13881491 0.83 AXL (0.44) AXLCDK1KDRJAK2JAK3
SCHEMBL3969938 0.80 AXL (0.56) AXLKDRAURKAAURKBEGFR
SCHEMBL3965218 0.78 AXL (0.45) AXLCDK1KDRAURKAAURKB
SCHEMBL3966844 0.77 AXL (0.47) AXLEGFRJAK2JAK3CDK2
SCHEMBL13881457 0.77 JAK2 (0.44) AXLEGFRJAK2JAK3
SCHEMBL3969736 0.76 AURKA (0.37) AXLKDRAURKAJAK2CDK2
SCHEMBL13881489 0.75 BRD4 (0.54) AXLCDK1KDRAURKAAURKB
SCHEMBL3963154 0.74 CDK1 (0.51) AXLCDK1KDRAURKAJAK2

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