SCHEMBL5820613

SCHEMBL5820613

Cc1ccc(NC(=O)c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1N1Cc2cnc3[nH]ccc3c2N(C)C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 14/20 0.57
▸ MAP4K2 Q12851 14/20 0.57
▸ BRAF P15056 4/20 0.56
▸ BMX P51813 3/20 0.49
▸ ABL1 P00519 3/20 0.49
▸ LCK P06239 1/20 0.49
▸ FES P07332 1/20 0.49
▸ RET P07949 1/20 0.49
▸ PDGFRB P09619 1/20 0.49
▸ KIT P10721 1/20 0.49
▸ FGFR1 P11362 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ PDGFRA P16234 1/20 0.49
▸ FLT1 P17948 1/20 0.49
▸ FGFR3 P22607 1/20 0.49
▸ EPHA3 P29320 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ EPHB4 P54760 1/20 0.49
▸ TEK Q02763 1/20 0.49
▸ KARS1 Q15046 1/20 0.49

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
SCHEMBL5820599 0.88 MAP4K2 (0.67) TNK2MAP4K2BRAFBMXABL1
SCHEMBL5819810 0.83 MAP4K2 (0.60) TNK2MAP4K2BRAFABL1FES
SCHEMBL5819608 0.83 MAP4K2 (0.62) TNK2MAP4K2BRAFABL1FES
SCHEMBL3134112 0.83 TNK2 (0.70) TNK2MAP4K2BMXABL1LCK
SCHEMBL3134788 0.82 TNK2 (0.74) TNK2MAP4K2BMXABL1LCK
SCHEMBL5813589 0.82 TNK2 (0.61) TNK2MAP4K2BMXABL1LCK
SCHEMBL5816482 0.79 ABL1 (0.54) TNK2MAP4K2BMXABL1LCK
SCHEMBL5815047 0.79 MAP4K2 (0.61) TNK2MAP4K2BRAFBMXABL1
SCHEMBL5820634 0.78 MAP4K2 (0.55) TNK2MAP4K2BMXABL1LCK
SCHEMBL5812530 0.78 MAP4K2 (0.60) TNK2MAP4K2BMXABL1LCK

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 1 patent. 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 disclosed
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