SCHEMBL3969882

SCHEMBL3969882

Cc1cnc(Nc2ccc(OCCC3CCCN3)cc2)nc1-c1ccc(C=C2SC(=O)NC2=O)s1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 15/20 0.42
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
AXL P30530 1/20 0.37

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
SCHEMBL3966066 0.87 AXL (0.41) JAK2JAK1TYK2JAK3HRH3
SCHEMBL13881481 0.86 HPGD (0.54) HPGDJAK2JAK1TYK2JAK3
SCHEMBL3969743 0.85 AXL (0.42) JAK2JAK1TYK2JAK3AXL
SCHEMBL3971087 0.82 AXL (0.41) JAK2JAK1TYK2JAK3AXL
SCHEMBL3967433 0.82 AXL (0.44) JAK2JAK1TYK2JAK3AXL
SCHEMBL3971221 0.81 JAK2 (0.41) JAK2JAK1TYK2JAK3AXL
SCHEMBL3965200 0.80 AXL (0.41) JAK2JAK1TYK2JAK3AXL
SCHEMBL3967985 0.80 AXL (0.39) JAK2JAK1TYK2JAK3AXL
SCHEMBL3967352 0.80 CHEK1 (0.39) JAK2JAK1TYK2JAK3HRH3
SCHEMBL3965488 0.80 CHRNA1 (0.41) JAK2JAK1TYK2JAK3HRH3

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