SCHEMBL5082839

SCHEMBL5082839

Cc1cc(Oc2ccccc2)nc2cc(Nc3nccn4c(C5CCC5)ncc34)ccc12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 18/20 0.41
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5086596 0.89 TNK2 (0.42) TNK2LMNAL3MBTL1KDM4EALDH1A1
SCHEMBL5085497 0.88 TNK2 (0.44) TNK2LMNAL3MBTL1KDM4EALDH1A1
SCHEMBL5078897 0.88 TNK2 (0.40) TNK2
SCHEMBL5082928 0.85 IGF1R (0.40) TNK2
SCHEMBL5086159 0.83 TNK2 (0.35) TNK2LMNAKDM4EALDH1A1HPGD
SCHEMBL5080265 0.79 RAB9A (0.35) TNK2KDM4EALDH1A1HPGD
SCHEMBL5083250 0.79 TNK2 (0.45) TNK2
SCHEMBL13504863 0.78 TNK2 (0.53) TNK2
SCHEMBL5083969 0.74 IGF1R (0.46) TNK2
SCHEMBL5081943 0.74 IGF1R (0.35) KDM4E

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