SCHEMBL5318007

SCHEMBL5318007

CN(C)CC1CC(n2ccc(-c3ccc4ccc(-c5ccccc5)nc4c3F)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.39
CYP3A4 P08684 1/20 0.38
INSR P06213 3/20 0.37
PLAUR Q03405 1/20 0.35
GAK O14976 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
SCHEMBL5142905 0.85 TNK2 (0.35) IGF1R
SCHEMBL5139584 0.76 IGF1R (0.40) IGF1RCYP3A4INSR
SCHEMBL5084829 0.76 IGF1R (0.40) IGF1RCYP3A4INSR
SCHEMBL5085319 0.75 IGF1R (0.39) IGF1RCYP3A4INSR
SCHEMBL400019 0.75 IGF1R (0.45) IGF1RCYP3A4INSR
SCHEMBL399679 0.74 EGFR (0.49) IGF1RINSR
SCHEMBL400570 0.64 ABL1 (0.42) IGF1RINSR
SCHEMBL27678610 0.63 IGF1R (0.41) IGF1RCYP3A4
SCHEMBL27678617 0.61 IGF1R (0.45) IGF1RCYP3A4INSR
SCHEMBL13541763 0.61 PARP1 (0.44) IGF1RCYP3A4INSRGAK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007531754-A 2007-11-08 JP claimed
EP-1740591-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-01-10 EP claimed
WO-2005097800-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-10-20 WO claimed