SCHEMBL5814944

SCHEMBL5814944

Cc1c[nH]c(-c2cc(NC(=O)c3ccc(C)c(N4Cc5cnc6[nH]ccc6c5N(C)C4=O)c3)cc(C(F)(F)F)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K2 Q12851 14/20 0.50
▸ TNK2 Q07912 13/20 0.50
▸ ABL1 P00519 6/20 0.50
▸ BMX P51813 3/20 0.50
▸ KDR P35968 3/20 0.50
▸ FGFR1 P11362 2/20 0.50
▸ FGFR3 P22607 2/20 0.50
▸ PDGFRB P09619 2/20 0.50
▸ LCK P06239 1/20 0.50
▸ FES P07332 1/20 0.50
▸ RET P07949 1/20 0.50
▸ KIT P10721 1/20 0.50
▸ SRC P12931 1/20 0.50
▸ PDGFRA P16234 1/20 0.50
▸ FLT1 P17948 1/20 0.50
▸ EPHA3 P29320 1/20 0.50
▸ EPHB4 P54760 1/20 0.50
▸ TEK Q02763 1/20 0.50
▸ KARS1 Q15046 1/20 0.50
▸ NTRK3 Q16288 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
SCHEMBL5816482 0.93 ABL1 (0.54) MAP4K2TNK2ABL1BMXKDR
SCHEMBL5818951 0.87 MAP4K2 (0.52) MAP4K2TNK2ABL1BMXKDR
SCHEMBL5813589 0.85 TNK2 (0.61) MAP4K2TNK2ABL1BMXKDR
SCHEMBL5813818 0.79 FGFR1 (0.46) MAP4K2TNK2ABL1KDRFGFR1
SCHEMBL5820599 0.77 MAP4K2 (0.67) MAP4K2TNK2ABL1BMXKDR
SCHEMBL5820613 0.77 TNK2 (0.57) MAP4K2TNK2ABL1BMXKDR
SCHEMBL5815047 0.76 MAP4K2 (0.61) MAP4K2TNK2ABL1BMXKDR
SCHEMBL5820634 0.76 MAP4K2 (0.55) MAP4K2TNK2ABL1BMXKDR
SCHEMBL5814252 0.75 FGFR1 (0.58) MAP4K2TNK2ABL1BMXKDR
SCHEMBL5819608 0.75 MAP4K2 (0.62) MAP4K2TNK2ABL1FESSRC

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 claimed
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