SCHEMBL5086596

SCHEMBL5086596

Cc1cc(Oc2ccccc2)nc2cc(Nc3nccn4c(C5CC(CN6CCC6)C5)ncc34)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 9/20 0.42
IGF1R P08069 7/20 0.38
INSR P06213 2/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
LYN P07948 1/20 0.38
RET P07949 1/20 0.38
FGFR1 P11362 1/20 0.38
RPS6KB1 P23443 1/20 0.38
FLT4 P35916 1/20 0.38
FLT3 P36888 1/20 0.38
FRK P42685 1/20 0.38
STK3 Q13188 1/20 0.38
ROCK1 Q13464 1/20 0.38
PTK6 Q13882 1/20 0.38
ERBB4 Q15303 1/20 0.38
NTRK3 Q16288 1/20 0.38
AURKB Q96GD4 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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 0.89 TNK2 (0.41) TNK2LMNAL3MBTL1KDM4EALDH1A1
SCHEMBL5085497 0.88 TNK2 (0.44) TNK2IGF1REGFRCYP3A4LMNA
SCHEMBL5083358 0.80 IGF1R (0.58) TNK2IGF1RINSRROCK2PRKD3
SCHEMBL5086104 0.77 IGF1R (0.48) TNK2IGF1RINSRROCK2PRKD3
SCHEMBL5078897 0.77 TNK2 (0.40) TNK2IGF1RCYP3A4
SCHEMBL5083969 0.75 IGF1R (0.46) TNK2IGF1RINSREGFRCYP3A4
SCHEMBL5082928 0.75 IGF1R (0.40) TNK2IGF1RCYP3A4KDR
SCHEMBL5084929 0.74 IGF1R (0.47) TNK2IGF1RINSRROCK2PRKD3
SCHEMBL5083250 0.73 TNK2 (0.45) TNK2IGF1R
SCHEMBL5081269 0.73 CYP3A4 (0.39) TNK2IGF1RCYP3A4KDM4EALDH1A1

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
WO-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed
EP-1740591-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-01-10 EP disclosed
WO-2005097800-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed