SCHEMBL4976789

SCHEMBL4976789

COCCCN1CCN(C2CCC(n3ncc4c(N)ncnc43)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.48
▸ ERBB2 P04626 4/20 0.48
▸ IGF1R P08069 4/20 0.48
▸ ERBB3 P21860 2/20 0.48
▸ ERBB4 Q15303 2/20 0.48
▸ CYP2D6 P10635 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.42
▸ BTK Q06187 2/20 0.41
▸ AKT1 P31749 4/20 0.40
▸ AKT2 P31751 4/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ PI4K2B Q8TCG2 1/20 0.40
▸ PI4K2A Q9BTU6 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ HCK P08631 1/20 0.40
▸ TLR7 Q9NYK1 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.38

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
SCHEMBL5817230 0.82 LCK (0.51) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL2960099 0.80 SRC (0.55) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL20744975 0.77 EGFR (0.55) EGFRSIGMAR1BTKAKT1AKT2
SCHEMBL30041613 0.77 EGFR (0.55) EGFRSIGMAR1BTKAKT1AKT2
Acetic Acid SCHEMBL6433943 0.77 LCK (0.52) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL30455250 0.76 RET (0.49) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL29887032 0.75 PI4KA (0.48) EGFRSIGMAR1BTKAKT1AKT2
SCHEMBL13762806 0.75 PI4KA (0.54) EGFRSIGMAR1BTKAKT1AKT2
SCHEMBL27731637 0.74 EGFR (0.50) EGFRSIGMAR1BTKAKT1AKT2
SCHEMBL30164318 0.72 EGFR (0.47) EGFRSIGMAR1BTKAKT1AKT2

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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