SCHEMBL5082589

SCHEMBL5082589

NC(=O)C1CCC(c2ncc3c(N)nc(-c4cc5nc(-c6cccs6)ccc5cc4Cl)cn23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
NEK2 P51955 1/20 0.35
ABL1 P00519 2/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
KDM4E B2RXH2 4/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
DYRK1A Q13627 1/20 0.31
TNK2 Q07912 1/20 0.31
KCNH2 Q12809 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
ALDH1A1 P00352 3/20 0.30
HPGD P15428 3/20 0.30
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL5079162 0.88 IGF1R (0.50) IGF1RSMN1; SMN2NEK2LMNAHTT
SCHEMBL5085373 0.86 IGF1R (0.43) IGF1RABL1LMNAMEN1KMT2A
SCHEMBL5081252 0.82 TNK2 (0.42) IGF1RABL1TNK2
SCHEMBL5087010 0.82 IGF1R (0.39) IGF1RABL1KDM4EMEN1KMT2A
SCHEMBL399341 0.80 IGF1R (0.62) IGF1RTNK2
SCHEMBL399520 0.74 RIPK2 (0.42) IGF1RABL1KCNH2
SCHEMBL5083797 0.73 IGF1R (0.38) IGF1RNEK2TNK2
SCHEMBL5082616 0.73 IGF1R (0.36) IGF1RNEK2KDM4EALDH1A1NPC1
SCHEMBL400087 0.72 KDR (0.43) IGF1RABL1
Carbamic Acid SCHEMBL4066334 0.71 TNK2 (0.54) IGF1RTNK2

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