SCHEMBL5455909

SCHEMBL5455909

CCC(Nc1ncc(Cl)c(Nc2cc(S(C)(=O)=O)[nH]n2)n1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.47
IGF1R P08069 7/20 0.45
FGFR1 P11362 5/20 0.43
AURKA O14965 2/20 0.43
PLK4 O00444 1/20 0.43
JAK2 O60674 1/20 0.43
STK10 O94804 1/20 0.43
PAK4 O96013 1/20 0.43
RET P07949 1/20 0.43
FER P16591 1/20 0.43
CSNK2A2 P19784 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
FLT3 P36888 1/20 0.43
STAT3 P40763 1/20 0.43
STAT5A P42229 1/20 0.43
JAK3 P52333 1/20 0.43
CDK3 Q00526 1/20 0.43
PTK2 Q05397 1/20 0.43
TNK2 Q07912 1/20 0.43

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
SCHEMBL5799483 0.89 NTRK1 (0.57) NTRK1IGF1RFGFR1AURKAPLK4
SCHEMBL3338201 0.89 NTRK1 (0.59) NTRK1IGF1RFGFR1AURKAPLK4
SCHEMBL3338360 0.78 IGF1R (0.64) NTRK1IGF1RFGFR1JAK2JAK3
SCHEMBL3335945 0.78 NTRK1 (0.72) NTRK1IGF1RFGFR1AURKAPLK4
SCHEMBL29794658 0.73 IGF1R (0.80) NTRK1IGF1R
SCHEMBL4070291 0.73 IGF1R (0.80) NTRK1IGF1R
SCHEMBL3338511 0.73 NTRK1 (0.57) NTRK1IGF1RFGFR1AURKAPLK4
SCHEMBL4034569 0.70 IGF1R (0.66) NTRK1IGF1RFGFR1AURKAPLK4
SCHEMBL4038016 0.68 IGF1R (0.79) NTRK1IGF1RFGFR1AURKAPLK4
SCHEMBL4031791 0.67 IGF1R (0.79) NTRK1IGF1RFGFR1AURKAPLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007511589-A 2007-05-10 JP claimed
EP-1686999-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2006-08-09 EP claimed
WO-2005049033-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSYNE KINASES ASTRAZENECA AB (SE) 2005-06-02 WO claimed