SCHEMBL4979657

SCHEMBL4979657

COCC[C@H]1CC(n2nc(-c3ccc4[nH]c(Cc5ccccc5F)cc4c3)c3c(N)ncnc32)CCN1C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 11/20 0.48
▸ SRC P12931 7/20 0.47
▸ EGFR P00533 10/20 0.47
▸ ERBB2 P04626 6/20 0.47
▸ CYP2D6 P10635 1/20 0.44
▸ KDR P35968 6/20 0.43
▸ PIK3CD O00329 4/20 0.43
▸ ABL1 P00519 4/20 0.43
▸ HCK P08631 4/20 0.43
▸ PIK3CA P42336 4/20 0.43
▸ PIK3CB P42338 4/20 0.43
▸ MTOR P42345 4/20 0.43
▸ PIK3CG P48736 4/20 0.43
▸ EPHB4 P54760 4/20 0.43
▸ PRKDC P78527 4/20 0.43
▸ PI4KB Q9UBF8 3/20 0.43
▸ LCK P06239 2/20 0.43
▸ TEK Q02763 1/20 0.41

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
SCHEMBL2968796 0.86 IGF1R (0.59) IGF1RSRCEGFRERBB2KDR
SCHEMBL2968823 0.82 IGF1R (0.58) IGF1RSRCEGFRERBB2CYP2D6
Tert-Butyl Formate SCHEMBL28775137 0.82 SRC (0.54) IGF1RSRCEGFRERBB2KDR
SCHEMBL2963758 0.81 IGF1R (0.62) IGF1RSRCEGFRERBB2CYP2D6
SCHEMBL2956093 0.80 IGF1R (0.68) IGF1RSRCEGFRERBB2CYP2D6
SCHEMBL2966523 0.80 IGF1R (0.68) IGF1RSRCEGFRERBB2CYP2D6
SCHEMBL2956094 0.80 IGF1R (0.68) IGF1RSRCEGFRERBB2CYP2D6
SCHEMBL27733903 0.80 IGF1R (0.63) IGF1RSRCEGFRERBB2CYP2D6
SCHEMBL2960269 0.79 IGF1R (0.61) IGF1RSRCEGFRERBB2CYP2D6
SCHEMBL2960270 0.79 IGF1R (0.61) IGF1RSRCEGFRERBB2CYP2D6

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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