SCHEMBL5085497

SCHEMBL5085497

Cc1cc(Oc2ccccc2)nc2cc(Nc3nccn4c(C5CC(CN(C)C)C5)ncc34)ccc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 12/20 0.44
IGF1R P08069 3/20 0.40
CYP3A4 P08684 1/20 0.37
MCHR1 Q99705 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EGFR P00533 1/20 0.32

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
SCHEMBL5082839 0.88 TNK2 (0.41) TNK2LMNAL3MBTL1KDM4EALDH1A1
SCHEMBL5086596 0.88 TNK2 (0.42) TNK2IGF1RCYP3A4LMNAL3MBTL1
SCHEMBL5083969 0.87 IGF1R (0.46) TNK2IGF1RCYP3A4EGFR
SCHEMBL5081269 0.85 CYP3A4 (0.39) TNK2IGF1RCYP3A4KDM4EALDH1A1
SCHEMBL5082157 0.81 IGF1R (0.38) TNK2IGF1RCYP3A4MCHR1
SCHEMBL5258044 0.80 IGF1R (0.58) TNK2IGF1RCYP3A4EGFR
SCHEMBL5078897 0.77 TNK2 (0.40) TNK2IGF1RCYP3A4
SCHEMBL400519 0.75 TNK2 (0.74) TNK2IGF1RCYP3A4
SCHEMBL5083250 0.74 TNK2 (0.45) TNK2IGF1R
SCHEMBL5082928 0.74 IGF1R (0.40) TNK2IGF1RCYP3A4

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 3 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-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed
WO-2007075554-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2007-07-05 WO disclosed