SCHEMBL5083969

SCHEMBL5083969

Cc1cc(-c2ccccc2)nc2cc(Nc3nccn4c(C5CC(CN(C)C)C5)ncc34)ccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 14/20 0.46
CYP3A4 P08684 4/20 0.46
TNK2 Q07912 2/20 0.39
KDR P35968 2/20 0.33
EGFR P00533 1/20 0.33
INSR P06213 1/20 0.33
YES1 P07947 2/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
PIM1 P11309 1/20 0.31
MAPK1 P28482 1/20 0.31
HIPK1 Q86Z02 1/20 0.31
AHR P35869 1/20 0.31
AVPR1A P37288 1/20 0.31

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
SCHEMBL5081269 0.92 CYP3A4 (0.39) IGF1RCYP3A4TNK2
SCHEMBL5258044 0.90 IGF1R (0.58) IGF1RCYP3A4TNK2KDREGFR
SCHEMBL5082157 0.88 IGF1R (0.38) IGF1RCYP3A4TNK2
SCHEMBL5082928 0.88 IGF1R (0.40) IGF1RCYP3A4TNK2KDRYES1
SCHEMBL5085497 0.87 TNK2 (0.44) IGF1RCYP3A4TNK2EGFR
SCHEMBL5081943 0.84 IGF1R (0.35) IGF1RCYP3A4YES1
SCHEMBL5083767 0.79 IGF1R (0.46) IGF1RCYP3A4TNK2KDREGFR
SCHEMBL5086159 0.79 TNK2 (0.35) IGF1RCYP3A4TNK2
SCHEMBL5083358 0.76 IGF1R (0.58) IGF1RCYP3A4TNK2KDREGFR
SCHEMBL5086596 0.75 TNK2 (0.42) IGF1RCYP3A4TNK2KDREGFR

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