SCHEMBL5011039

SCHEMBL5011039

COc1ccccc1Cc1nc2cc(-c3nn(-c4ccc(CN5CCN(CCC6OCCO6)CC5)cc4)c4ncnc(Nc5ccccc5)c34)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 15/20 0.43
▸ ERBB2 P04626 12/20 0.43
▸ EGFR P00533 11/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ EPHA2 P29317 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ALK Q9UM73 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.32

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
SCHEMBL2960500 0.90 IGF1R (0.54) IGF1RERBB2EGFRCYP2D6
SCHEMBL2966954 0.80 IGF1R (0.61) IGF1RERBB2EGFRCYP2D6
SCHEMBL2962295 0.79 IGF1R (0.65) IGF1RERBB2EGFRCYP2D6KDR
SCHEMBL2958806 0.77 IGF1R (0.53) IGF1RERBB2EGFRCYP2D6
SCHEMBL2962604 0.76 IGF1R (0.73) IGF1RERBB2EGFRCYP2D6
SCHEMBL2963573 0.76 IGF1R (0.73) IGF1RERBB2EGFRCYP2D6
SCHEMBL2962607 0.76 IGF1R (0.73) IGF1RERBB2EGFRCYP2D6
SCHEMBL2959561 0.70 IGF1R (0.61) IGF1RERBB2EGFR
SCHEMBL2968808 0.70 IGF1R (0.60) IGF1RERBB2EGFR
SCHEMBL2967036 0.70 IGF1R (0.59) IGF1RERBB2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973917-A2 PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2008-10-01 — — EP disclosed
WO-2007079164-A2 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2007-07-12 — — WO disclosed
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