SCHEMBL28811350

SCHEMBL28811350

COC(=O)C1CCC(c2nc(-c3ccc4ccc(Oc5ccccc5)nc4c3)c3c(N)nccn23)CC1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 16/20 0.78
IGF1R P08069 4/20 0.64
CYP3A4 P08684 1/20 0.57

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
SCHEMBL397651 0.92 TNK2 (0.78) TNK2IGF1RCYP3A4
SCHEMBL400088 0.91 TNK2 (0.77) TNK2IGF1RCYP3A4
SCHEMBL396713 0.88 IGF1R (0.82) TNK2IGF1RCYP3A4
SCHEMBL396711 0.88 IGF1R (0.82) TNK2IGF1RCYP3A4
SCHEMBL13812431 0.88 IGF1R (0.82) TNK2IGF1RCYP3A4
SCHEMBL1129656 0.88 TNK2 (1.00) TNK2
SCHEMBL1128890 0.88 TNK2 (1.00) TNK2
SCHEMBL4068532 0.88 TNK2 (0.65) TNK2IGF1RCYP3A4
Carbamic Acid SCHEMBL4063655 0.87 TNK2 (0.69) TNK2IGF1RCYP3A4
SCHEMBL400061 0.87 TNK2 (0.74) TNK2IGF1RCYP3A4

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
CN-102924458-B 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARM INC 2014-11-05 CN disclosed