SCHEMBL5086076

SCHEMBL5086076

CNC(=O)C1CCC(c2ncc3c(N)nc(-c4ccc5cnc(-c6ccccc6)nc5c4)cn23)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.44
TNK2 Q07912 1/20 0.43
HPGDS O60760 1/20 0.37
HPGD P15428 1/20 0.37
JAK2 O60674 1/20 0.37
ADORA2A P29274 4/20 0.36
ADORA1 P30542 3/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA3 P0DMS8 3/20 0.35
ABL1 P00519 1/20 0.35
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
HDAC4 P56524 1/20 0.34
CYP46A1 Q9Y6A2 1/20 0.34

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
SCHEMBL5082567 0.88 IGF1R (0.44) IGF1RTNK2HPGDJAK2ADORA2A
SCHEMBL5083787 0.86 TNK2 (0.42) IGF1RTNK2HPGDJAK2ADORA2A
SCHEMBL5086253 0.85 TNK2 (0.50) IGF1RTNK2ABL1
SCHEMBL4073244 0.81 IGF1R (0.51) IGF1RTNK2
SCHEMBL401177 0.79 TNK2 (0.68) IGF1RTNK2
SCHEMBL3040790 0.78 IGF1R (0.51) IGF1RTNK2HPGDJAK2ADORA2A
SCHEMBL5080636 0.77 IGF1R (0.48) IGF1RTNK2JAK2ADORA2AADORA1
SCHEMBL3898556 0.76 TNK2 (0.52) IGF1RTNK2
SCHEMBL401241 0.76 IGF1R (0.44) IGF1RTNK2
SCHEMBL398892 0.76 IGF1R (0.45) IGF1RTNK2ADORA2AADORA1ABL1

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-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed