SCHEMBL5815047

SCHEMBL5815047

CCN1CCN(c2cc(C(=O)Nc3ccc(C)c(N4Cc5cnc6[nH]ccc6c5N(C)C4=O)c3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K2 Q12851 12/20 0.61
▸ TNK2 Q07912 11/20 0.61
▸ ABL1 P00519 4/20 0.55
▸ RAF1 P04049 6/20 0.51
▸ BRAF P15056 6/20 0.51
▸ BMX P51813 3/20 0.50
▸ LCK P06239 1/20 0.50
▸ FES P07332 1/20 0.50
▸ RET P07949 1/20 0.50
▸ PDGFRB P09619 1/20 0.50
▸ KIT P10721 1/20 0.50
▸ FGFR1 P11362 1/20 0.50
▸ SRC P12931 1/20 0.50
▸ PDGFRA P16234 1/20 0.50
▸ FLT1 P17948 1/20 0.50
▸ FGFR3 P22607 1/20 0.50
▸ EPHA3 P29320 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ EPHB4 P54760 1/20 0.50
▸ TEK Q02763 1/20 0.50

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
SCHEMBL5820634 0.91 MAP4K2 (0.55) MAP4K2TNK2ABL1RAF1BMX
SCHEMBL5820599 0.91 MAP4K2 (0.67) MAP4K2TNK2ABL1RAF1BRAF
SCHEMBL5812530 0.88 MAP4K2 (0.60) MAP4K2TNK2ABL1BMXLCK
SCHEMBL5819608 0.85 MAP4K2 (0.62) MAP4K2TNK2ABL1RAF1BRAF
SCHEMBL3143225 0.84 TNK2 (0.73) MAP4K2TNK2ABL1BMXLCK
SCHEMBL3143670 0.84 TNK2 (0.78) MAP4K2TNK2ABL1BMXLCK
SCHEMBL5816482 0.82 ABL1 (0.54) MAP4K2TNK2ABL1BMXLCK
SCHEMBL5818216 0.82 MAP4K2 (0.51) MAP4K2TNK2ABL1RAF1BRAF
SCHEMBL5813589 0.81 TNK2 (0.61) MAP4K2TNK2ABL1BMXLCK
SCHEMBL5819117 0.80 FGFR1 (0.47) MAP4K2TNK2ABL1RAF1BRAF

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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