SCHEMBL4975906

SCHEMBL4975906

COCCC[C@@H]1CC(n2nc(-c3ccc4nc(Cc5ccccc5)[nH]c4c3)c3c(N)ncnc32)CCN1C1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 20/20 0.60
▸ EGFR P00533 9/20 0.60
▸ ERBB2 P04626 9/20 0.60
▸ CYP2D6 P10635 1/20 0.57

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
SCHEMBL4977273 0.89 IGF1R (0.63) IGF1REGFRERBB2
SCHEMBL2953563 0.85 IGF1R (0.78) IGF1REGFRERBB2
SCHEMBL2969096 0.82 IGF1R (0.77) IGF1REGFRERBB2CYP2D6
SCHEMBL2961009 0.81 IGF1R (0.74) IGF1REGFRERBB2CYP2D6
SCHEMBL2967885 0.78 IGF1R (0.77) IGF1REGFRERBB2
SCHEMBL2962013 0.78 IGF1R (0.63) IGF1REGFRERBB2CYP2D6
SCHEMBL4979657 0.78 IGF1R (0.48) IGF1REGFRERBB2CYP2D6
SCHEMBL2967342 0.77 IGF1R (0.75) IGF1REGFRERBB2
SCHEMBL16762565 0.76 IGF1R (0.77) IGF1REGFRERBB2CYP2D6
SCHEMBL2956394 0.76 IGF1R (0.75) IGF1REGFRERBB2CYP2D6

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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