SCHEMBL5081269

SCHEMBL5081269

Cc1cc(-c2ccccn2)nc2cc(Nc3nccn4c(C5CC(CN(C)C)C5)ncc34)ccc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
IGF1R P08069 2/20 0.39
TNK2 Q07912 1/20 0.35
SYK P43405 2/20 0.32
TGFBR1 P36897 2/20 0.31
PDE10A Q9Y233 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5083969 0.92 IGF1R (0.46) CYP3A4IGF1RTNK2
SCHEMBL5086159 0.88 TNK2 (0.35) CYP3A4IGF1RTNK2SYKTGFBR1
SCHEMBL5082157 0.87 IGF1R (0.38) CYP3A4IGF1RTNK2
SCHEMBL5085497 0.85 TNK2 (0.44) CYP3A4IGF1RTNK2KDM4EALDH1A1
SCHEMBL5258044 0.83 IGF1R (0.58) CYP3A4IGF1RTNK2
SCHEMBL5085066 0.81 IGF1R (0.44) CYP3A4IGF1RTNK2TGFBR1
SCHEMBL5082928 0.79 IGF1R (0.40) CYP3A4IGF1RTNK2
SCHEMBL5083767 0.79 IGF1R (0.46) CYP3A4IGF1RTNK2KDM4EALDH1A1
SCHEMBL5139317 0.78 IGF1R (0.51) CYP3A4IGF1RTNK2
SCHEMBL5086104 0.77 IGF1R (0.48) CYP3A4IGF1RTNK2SYK

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 4 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
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