SCHEMBL27658563

SCHEMBL27658563

CC(C(=O)C(C)N1CCN(C2CC(c3nc(I)c4c(Cl)nccn34)C2)CC1)N1CCN(C2CC(c3nc(I)c4c(Cl)nccn34)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.36
IGF1R P08069 12/20 0.34
CYP3A4 P08684 5/20 0.34
MAPK3 P27361 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPK6 Q16659 1/20 0.34

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
SCHEMBL27678730 0.88 TNK2 (0.46) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL6938221 0.86 TNK2 (0.37) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL402204 0.86 TNK2 (0.37) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL2964083 0.84 TNK2 (0.48) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL397202 0.84 TNK2 (0.48) TNK2IGF1RCYP3A4MAPK3MAPK1
Methylpiperazine SCHEMBL1131232 0.81 TNK2 (0.44) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL13812631 0.75 TNK2 (0.42) TNK2
SCHEMBL398540 0.75 TNK2 (0.42) TNK2IGF1R
SCHEMBL1129050 0.75 TNK2 (0.42) TNK2IGF1R
SCHEMBL19264064 0.75 TNK2 (0.38) TNK2IGF1RCYP3A4MAPK3MAPK1

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-1960993-A 6, 6-bicyclic substituted heterobicyclic protein kinase inhibitors OSI PHARM INC (US) 2007-05-09 CN disclosed