SCHEMBL5818216

SCHEMBL5818216

CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(N4Cc5cnc6[nH]ccc6c5N(C)C4=O)c3)cc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K2 Q12851 11/20 0.51
▸ MAPK14 Q16539 7/20 0.51
▸ MAP3K7 O43318 6/20 0.51
▸ MAP3K20 Q9NYL2 5/20 0.51
▸ CSK P41240 4/20 0.51
▸ EPHA2 P29317 3/20 0.51
▸ ABL1 P00519 3/20 0.50
▸ MAP4K4 O95819 2/20 0.50
▸ RAF1 P04049 2/20 0.50
▸ LYN P07948 2/20 0.50
▸ SRC P12931 2/20 0.50
▸ EPHB2 P29323 2/20 0.50
▸ ABL2 P42684 2/20 0.50
▸ EPHB4 P54760 2/20 0.50
▸ TNK2 Q07912 5/20 0.49
▸ DDR1 Q08345 1/20 0.49
▸ FES P07332 1/20 0.49
▸ FER P16591 1/20 0.49
▸ FLT3 P36888 1/20 0.49
▸ FGFR1 P11362 3/20 0.46

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
SCHEMBL5819608 0.90 MAP4K2 (0.62) MAP4K2MAPK14MAP3K7MAP3K20CSK
SCHEMBL5820634 0.84 MAP4K2 (0.55) MAP4K2MAPK14MAP3K7MAP3K20CSK
SCHEMBL5819810 0.83 MAP4K2 (0.60) MAP4K2MAPK14MAP3K7MAP3K20CSK
SCHEMBL5815047 0.82 MAP4K2 (0.61) MAP4K2MAP3K7ABL1RAF1SRC
SCHEMBL5812490 0.78 FGFR1 (0.48) MAP4K2MAPK14MAP3K7MAP3K20CSK
SCHEMBL5813589 0.76 TNK2 (0.61) MAP4K2ABL1SRCEPHB4TNK2
SCHEMBL5820613 0.76 TNK2 (0.57) MAP4K2ABL1RAF1SRCEPHB4
SCHEMBL13523261 0.74 TNK2 (0.63) MAP4K2ABL1SRCEPHB4TNK2
SCHEMBL5814252 0.74 FGFR1 (0.58) MAP4K2ABL1SRCEPHB4TNK2
SCHEMBL5816769 0.74 TNK2 (0.60) MAP4K2ABL1SRCEPHB4TNK2

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
WO-2006124731-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-11-23 — — WO claimed
WO-2006124731-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-11-23 — — WO disclosed
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