SCHEMBL3040790

SCHEMBL3040790

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.51
TNK2 Q07912 1/20 0.41
HPGD P15428 2/20 0.39
JAK2 O60674 1/20 0.39
ATR Q13535 2/20 0.39
POLB P06746 1/20 0.39
NEK2 P51955 2/20 0.38
CYP3A4 P08684 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
TLR9 Q9NR96 1/20 0.36

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 0.90 IGF1R (0.44) IGF1RTNK2HPGDJAK2POLB
SCHEMBL5080636 0.82 IGF1R (0.48) IGF1RTNK2JAK2ATRPOLB
SCHEMBL5084882 0.82 IGF1R (0.48) IGF1RTNK2CYP3A4NPC1RAB9A
SCHEMBL4073244 0.81 IGF1R (0.51) IGF1RTNK2NEK2CYP3A4
SCHEMBL5079162 0.80 IGF1R (0.50) IGF1RTNK2HPGDNEK2CYP3A4
SCHEMBL5086965 0.80 IGF1R (0.43) IGF1RTNK2HPGDPOLB
SCHEMBL5086140 0.79 TNK2 (0.45) IGF1RTNK2HPGD
SCHEMBL5083298 0.79 IGF1R (0.40) IGF1RTNK2ATRRAB9AADORA2A
SCHEMBL399552 0.78 IGF1R (0.81) IGF1RTNK2NEK2CYP3A4
SCHEMBL5086076 0.78 IGF1R (0.44) IGF1RTNK2HPGDJAK2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979002-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI Pharmaceuticals, Inc. (US) 2008-10-15 EP claimed
WO-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO claimed
WO-2007075554-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2007-07-05 WO claimed
EP-2168968-A1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed