SCHEMBL1741008

SCHEMBL1741008

CCS(=O)(=O)Nc1nc(NC(C)c2ncc(F)cn2)nc(Nc2cc(OC(C)C)[nH]n2)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.50
JAK3 P52333 12/20 0.50
AURKA O14965 3/20 0.49
GRK6 P43250 1/20 0.49
NTRK1 P04629 3/20 0.49
JAK1 P23458 2/20 0.49
AURKB Q96GD4 2/20 0.49
PLK4 O00444 1/20 0.49
STK10 O94804 1/20 0.49
PAK4 O96013 1/20 0.49
RET P07949 1/20 0.49
FGFR1 P11362 1/20 0.49
FER P16591 1/20 0.49
CSNK2A2 P19784 1/20 0.49
TYK2 P29597 1/20 0.49
FLT3 P36888 1/20 0.49
STAT3 P40763 1/20 0.49
STAT5A P42229 1/20 0.49
CDK3 Q00526 1/20 0.49
PTK2 Q05397 1/20 0.49

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
SCHEMBL784005 0.92 JAK2 (0.51) JAK2JAK3AURKAGRK6NTRK1
SCHEMBL218986 0.83 JAK2 (0.51) JAK2JAK3AURKAGRK6NTRK1
SCHEMBL3349894 0.80 JAK2 (0.75) JAK2JAK3AURKANTRK1JAK1
SCHEMBL3349448 0.80 JAK2 (0.75) JAK2JAK3AURKAGRK6NTRK1
SCHEMBL3345053 0.80 JAK2 (0.75) JAK2JAK3AURKANTRK1JAK1
SCHEMBL219911 0.80 JAK2 (0.75) JAK2JAK3AURKANTRK1JAK1
SCHEMBL219307 0.79 JAK2 (0.51) JAK2JAK3AURKAGRK6NTRK1
SCHEMBL220186 0.78 NTRK1 (0.51) JAK2JAK3AURKAGRK6NTRK1
SCHEMBL24609025 0.74 NTRK1 (0.51) JAK2JAK3AURKAGRK6NTRK1
SCHEMBL588783 0.74 JAK3 (0.57) JAK2JAK3AURKAGRK6NTRK1

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
EP-2388259-A1 4- (3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer AstraZeneca AB (SE) 2011-11-23 EP disclosed
US-8040733-B2 Non-volatile memory device and method of operating the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-10-18 US disclosed