SCHEMBL5082567

SCHEMBL5082567

CNC(=O)C1CCC(c2ncc3c(N)nc(-c4ccc5ncc(-c6ccccc6)nc5c4)cn23)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.44
TNK2 Q07912 1/20 0.43
JAK2 O60674 1/20 0.43
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.37
NEK2 P51955 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
HDAC4 P56524 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
ADORA1 P30542 1/20 0.35
CYP46A1 Q9Y6A2 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
SCHEMBL3040790 0.90 IGF1R (0.51) IGF1RTNK2JAK2POLBHPGD
SCHEMBL5086076 0.88 IGF1R (0.44) IGF1RTNK2JAK2HPGDADORA3
SCHEMBL5083787 0.83 TNK2 (0.42) IGF1RTNK2JAK2HPGDADORA2A
SCHEMBL5086253 0.83 TNK2 (0.50) IGF1RTNK2
SCHEMBL4073244 0.81 IGF1R (0.51) IGF1RTNK2NEK2FGFR1KDR
SCHEMBL396313 0.79 TNK2 (0.68) IGF1RTNK2NEK2FGFR1KDR
SCHEMBL3896776 0.77 IGF1R (0.52) IGF1RTNK2NEK2FGFR1KDR
SCHEMBL401241 0.76 IGF1R (0.44) IGF1RTNK2NEK2FGFR1KDR
SCHEMBL4245387 0.76 TNK2 (0.49) IGF1RTNK2JAK2NEK2ADORA3
SCHEMBL398892 0.76 IGF1R (0.45) IGF1RTNK2NEK2ADORA2AFGFR1

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