SCHEMBL5083298

SCHEMBL5083298

Cc1cc(Nc2ccccc2)nc2cc(-c3cn4c(C5CCC(C(N)=O)CC5)ncc4c(N)n3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.40
F2 P00734 2/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
CSF1R P07333 3/20 0.38
TNK2 Q07912 2/20 0.36
ATR Q13535 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
TGFBR1 P36897 1/20 0.33
ROCK1 Q13464 1/20 0.33
AURKB Q96GD4 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5080636 0.88 IGF1R (0.48) IGF1RCSF1RTNK2ATRADORA2A
SCHEMBL5086140 0.85 TNK2 (0.45) IGF1RF2PLGPRSS1TNK2
SCHEMBL5086965 0.85 IGF1R (0.43) IGF1RTNK2MEN1KMT2ATGFBR1
SCHEMBL5083787 0.82 TNK2 (0.42) IGF1RTNK2ADORA2AADORA1
SCHEMBL400115 0.79 IGF1R (0.65) IGF1RTNK2
SCHEMBL3040790 0.79 IGF1R (0.51) IGF1RTNK2ATRADORA2AADORA1
SCHEMBL5087010 0.78 IGF1R (0.39) IGF1RTNK2ATRMEN1KMT2A
SCHEMBL401018 0.77 TNK2 (0.38) IGF1RTNK2RAB9AMAPT
SCHEMBL1566947 0.77 TNK2 (0.38) IGF1RTNK2RAB9AMAPT
SCHEMBL5262952 0.76 IGF1R (0.39) IGF1RADORA2AADORA1RAB9AMAPT

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