SCHEMBL5085319

SCHEMBL5085319

CN(C)CC1CC(n2cc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3cncnc32)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.39
INSR P06213 3/20 0.39
CYP3A4 P08684 1/20 0.34
MELK Q14680 3/20 0.33
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
ABL2 P42684 1/20 0.32
SRC P12931 4/20 0.31
DYRK1A Q13627 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
SCHEMBL5139584 0.86 IGF1R (0.40) IGF1RINSRCYP3A4MELKEGFR
SCHEMBL399679 0.84 EGFR (0.49) IGF1RINSRABL1EGFRABL2
SCHEMBL5258556 0.84 SRC (0.43) IGF1RINSRCYP3A4ABL1EGFR
SCHEMBL5086486 0.83 IGF1R (0.39) IGF1RINSRCYP3A4MELKABL1
SCHEMBL5083287 0.77 IGF1R (0.38) IGF1RINSRCYP3A4ABL1EGFR
SCHEMBL5084829 0.76 IGF1R (0.40) IGF1RINSRCYP3A4
SCHEMBL5318007 0.75 IGF1R (0.39) IGF1RINSRCYP3A4
SCHEMBL400570 0.74 ABL1 (0.42) IGF1RINSRABL1EGFRABL2
SCHEMBL400019 0.74 IGF1R (0.45) IGF1RINSRCYP3A4ABL1EGFR
SCHEMBL6636964 0.73 IGF1R (0.53) IGF1RINSRMELKABL1EGFR

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
EP-1979002-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI Pharmaceuticals, Inc. (US) 2008-10-15 EP claimed
WO-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO claimed
WO-2007075554-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2007-07-05 WO claimed