SCHEMBL4557050

SCHEMBL4557050

Nc1nc(Nc2ccccc2OC(F)(F)F)ncc1-c1cc(C2CC2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.54
TTK P33981 2/20 0.38
PLK1 P53350 2/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
PLK2 Q9NYY3 1/20 0.38
PTK2 Q05397 1/20 0.37
EGFR P00533 2/20 0.37
BTK Q06187 1/20 0.37
MERTK Q12866 2/20 0.36
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
ALK Q9UM73 1/20 0.36
ATR Q13535 1/20 0.35

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
SCHEMBL11340779 0.77 IGF1R (0.72) IGF1R
SCHEMBL4077928 0.72 NTRK1 (0.49) IGF1RPLK1
SCHEMBL23217059 0.70 NTRK1 (0.52) IGF1R
SCHEMBL30010123 0.70 NTRK1 (0.52) IGF1R
SCHEMBL4469628 0.70 ADORA2A (0.41)
SCHEMBL4466340 0.69 IGF1R (0.50) IGF1RMERTK
SCHEMBL4557950 0.66 IGF1R (0.59) IGF1RTTKCCNA2CDK2EGFR
SCHEMBL30782745 0.66 HRH4 (0.40)
SCHEMBL5030706 0.65 GBA1 (0.51) TTK
SCHEMBL15256312 0.65 IGF1R (0.56) IGF1R

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed