SCHEMBL5079162

SCHEMBL5079162

NC(=O)C1CCC(c2ncc3c(N)nc(-c4ccc5ccc(-c6cccs6)nc5c4)cn23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.39
NEK2 P51955 2/20 0.37
CYP3A4 P08684 1/20 0.36
TNK2 Q07912 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GRK5 P34947 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
CHEK1 O14757 1/20 0.33
CHEK2 O96017 1/20 0.33
RIPK2 O43353 1/20 0.33
ROCK2 O75116 1/20 0.33
LATS1 O95835 1/20 0.33
INSR P06213 1/20 0.33

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
SCHEMBL5082589 0.88 IGF1R (0.41) IGF1RSMN1; SMN2NEK2TNK2NPC1
SCHEMBL5082616 0.86 IGF1R (0.36) IGF1RNEK2CYP3A4NPC1RAB9A
SCHEMBL5080636 0.81 IGF1R (0.48) IGF1RCYP3A4TNK2KDM4EMAPT
SCHEMBL5084882 0.81 IGF1R (0.48) IGF1RSMN1; SMN2CYP3A4TNK2NPC1
SCHEMBL3040790 0.80 IGF1R (0.51) IGF1RNEK2CYP3A4TNK2NPC1
SCHEMBL402472 0.79 IGF1R (0.79) IGF1RNEK2CYP3A4TNK2RIPK2
SCHEMBL4073244 0.78 IGF1R (0.51) IGF1RNEK2CYP3A4TNK2RIPK2
SCHEMBL400198 0.77 IGF1R (0.61) IGF1RCYP3A4TNK2RIPK2INSR
SCHEMBL5086965 0.76 IGF1R (0.43) IGF1RTNK2KDM4EALDH1A1HSD17B10
SCHEMBL5085373 0.73 IGF1R (0.43) IGF1RCYP3A4TNK2MEN1KMT2A

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 2 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 disclosed
WO-2007075554-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2007-07-05 WO disclosed