SCHEMBL3965488

SCHEMBL3965488

Cc1cnc(Nc2ccc(OCCC3CCCN3)cc2)nc1-c1ccc(Nc2ccccc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRND Q07001 1/20 0.41
JAK2 O60674 9/20 0.40
JAK3 P52333 8/20 0.40
LTA4H P09960 1/20 0.39
AXL P30530 2/20 0.39
CDK4 P11802 3/20 0.36
CDK2 P24941 2/20 0.36
JAK1 P23458 5/20 0.36
TYK2 P29597 3/20 0.36
CDK7 P50613 2/20 0.36
CDK9 P50750 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL3971087 0.97 AXL (0.41) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL3965200 0.91 AXL (0.41) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL3969743 0.91 AXL (0.42) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL3971085 0.91 AXL (0.51) JAK2JAK3AXLCDK4JAK1
SCHEMBL4251371 0.90 JAK2 (0.39) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL3967433 0.87 AXL (0.44) CHRNA3JAK2JAK3AXLJAK1
SCHEMBL3971221 0.86 JAK2 (0.41) JAK2JAK3AXLCDK4CDK2
SCHEMBL3967985 0.86 AXL (0.39) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL3967352 0.85 CHEK1 (0.39) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL3966066 0.85 AXL (0.41) JAK2JAK3AXLCDK4JAK1

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