SCHEMBL4065430

SCHEMBL4065430

CCC(C)Oc1cc(Nc2nc(Cl)ncc2Cl)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.44
JAK3 P52333 3/20 0.44
NTRK1 P04629 10/20 0.41
AURKA O14965 4/20 0.41
FGFR1 P11362 3/20 0.41
PLK4 O00444 2/20 0.41
PAK4 O96013 2/20 0.41
RET P07949 2/20 0.41
FLT3 P36888 2/20 0.41
PTK2 Q05397 2/20 0.41
TNK2 Q07912 2/20 0.41
STK10 O94804 1/20 0.41
FER P16591 1/20 0.41
CSNK2A2 P19784 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
STAT3 P40763 1/20 0.41
STAT5A P42229 1/20 0.41
CDK3 Q00526 1/20 0.41
STK4 Q13043 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
SCHEMBL220024 0.88 JAK2 (0.47) JAK2JAK3NTRK1AURKAFGFR1
SCHEMBL4073779 0.84 IGF1R (0.42) JAK2JAK3NTRK1AURKAFGFR1
SCHEMBL4076750 0.82 IGF1R (0.40) JAK2JAK3NTRK1AURKAFGFR1
SCHEMBL217676 0.81 JAK2 (0.42) JAK2JAK3NTRK1AURKAFGFR1
SCHEMBL1770945 0.76 FGFR1 (0.46) JAK2JAK3NTRK1AURKAFGFR1
SCHEMBL4041620 0.76 NTRK1 (0.46) JAK2JAK3NTRK1AURKAFGFR1
SCHEMBL4064988 0.76 JAK2 (0.43) JAK2JAK3NTRK1AURKAFGFR1
SCHEMBL217976 0.76 JAK2 (0.39) JAK2JAK3NTRK1AURKAFGFR1
SCHEMBL218889 0.76 IGF1R (0.44) JAK2JAK3NTRK1FGFR1PLK4
SCHEMBL3338899 0.75 IGF1R (0.42) JAK2JAK3NTRK1AURKAFGFR1

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-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
CN-1905884-A Pyrazole derivatives as inhibitors of receptor tyrosyne kinases ASTRAZENECA AB (SE) 2007-01-31 CN disclosed