SCHEMBL5138490

SCHEMBL5138490

CN(C)CC1CC(c2nc(-c3ccc4ccc(Oc5ccccc5)nc4c3)c3cncnn23)C1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 13/20 0.45
IGF1R P08069 7/20 0.45
CYP3A4 P08684 2/20 0.45
INSR P06213 3/20 0.36

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
SCHEMBL400283 0.84 TNK2 (0.66) TNK2IGF1RCYP3A4INSR
SCHEMBL5138353 0.83 TNK2 (0.53) TNK2IGF1RINSR
SCHEMBL5085578 0.72 IGF1R (0.55) TNK2IGF1RCYP3A4INSR
SCHEMBL5078959 0.71 LCK (0.36) TNK2IGF1RCYP3A4INSR
SCHEMBL1683109 0.71 IGF1R (0.71) TNK2IGF1RCYP3A4INSR
SCHEMBL397065 0.70 IGF1R (0.57) TNK2IGF1RCYP3A4INSR
SCHEMBL401288 0.70 IGF1R (0.73) TNK2IGF1RCYP3A4INSR
SCHEMBL400580 0.69 IGF1R (0.59) TNK2IGF1RINSR
SCHEMBL400390 0.69 BTK (0.52)
SCHEMBL5189617 0.68 IGF1R (0.47) TNK2IGF1RCYP3A4INSR

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