SCHEMBL4074254

SCHEMBL4074254

CN(C)CC1CC(C2=C3C=NC=C[N+]3(N)C(c3ccc4ccc(-c5ccccc5)nc4c3Cl)=N2)C1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.36
CYP3A4 P08684 1/20 0.36
TNK2 Q07912 1/20 0.30

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
SCHEMBL4072758 0.88
SCHEMBL4065777 0.88 TNK2 (0.34) TNK2
SCHEMBL4067736 0.87 IGF1R (0.30) IGF1R
SCHEMBL398785 0.86 IGF1R (0.39) IGF1RCYP3A4
SCHEMBL4065196 0.86 IGF1R (0.37) IGF1RCYP3A4TNK2
SCHEMBL4074268 0.84
SCHEMBL400618 0.83 IGF1R (0.47) IGF1RCYP3A4TNK2
SCHEMBL398029 0.80 IGF1R (0.41) IGF1R
SCHEMBL401747 0.77 IGF1R (0.38) IGF1RCYP3A4TNK2
SCHEMBL398353 0.77 IGF1R (0.35) IGF1R

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
EP-1740591-B1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2009-06-17 EP claimed