SCHEMBL22114673

SCHEMBL22114673

Cc1cnc(Nc2cnn(C)c2)nc1-c1ccc(C(N)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.56
JAK2 O60674 6/20 0.56
TYK2 P29597 6/20 0.56
JAK3 P52333 6/20 0.56
STAT3 P40763 3/20 0.56
KDR P35968 2/20 0.49
AURKB Q96GD4 2/20 0.49
ABL1 P00519 1/20 0.49
GSK3B P49841 1/20 0.49
FLT4 P35916 3/20 0.46
IGF1R P08069 3/20 0.44
AXL P30530 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
ALK Q9UM73 1/20 0.42

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
SCHEMBL4560048 0.87 JAK2 (0.56) JAK1JAK2TYK2JAK3STAT3
SCHEMBL29754252 0.85 JAK1 (0.58) JAK1JAK2TYK2JAK3STAT3
SCHEMBL22545979 0.85 JAK1 (0.58) JAK1JAK2TYK2JAK3STAT3
SCHEMBL4561983 0.85 JAK2 (0.58) JAK1JAK2TYK2JAK3STAT3
SCHEMBL4561135 0.85 JAK1 (0.60) JAK1JAK2TYK2JAK3STAT3
SCHEMBL5022297 0.82 JAK1 (0.61) JAK1JAK2TYK2JAK3STAT3
SCHEMBL4560821 0.82 AXL (0.59) JAK1JAK2TYK2JAK3STAT3
SCHEMBL4561175 0.82 JAK3 (0.53) JAK1JAK2TYK2JAK3STAT3
SCHEMBL4561905 0.82 JAK2 (0.64) JAK1JAK2TYK2JAK3STAT3
SCHEMBL24852441 0.82 JAK2 (0.49) JAK1JAK2TYK2JAK3STAT3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020118683-A1 BENZAMIDES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2020-06-18 WO disclosed