SCHEMBL18403164

SCHEMBL18403164

COC(=O)c1cc2cc(CCc3cccc(NC(=O)c4ccc(CN5CCC(C)C5)c(C(F)(F)F)c4)c3)cnc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K20 Q9NYL2 4/20 0.54
▸ MAPK14 Q16539 4/20 0.54
▸ CSK P41240 3/20 0.45
▸ BRAF P15056 3/20 0.45
▸ EGFR P00533 2/20 0.45
▸ ABL1 P00519 11/20 0.44
▸ SRC P12931 2/20 0.44
▸ BCR P11274 6/20 0.42
▸ DDR1 Q08345 3/20 0.42
▸ RET P07949 2/20 0.42
▸ DDR2 Q16832 2/20 0.42
▸ LYN P07948 2/20 0.41
▸ EPHA2 P29317 2/20 0.41
▸ RIPK2 O43353 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ ARAF P10398 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ EPHB2 P29323 1/20 0.41

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
SCHEMBL17313581 0.92 MAPK14 (0.53) MAP3K20MAPK14CSKBRAFEGFR
SCHEMBL15860031 0.92 MAPK14 (0.53) MAP3K20MAPK14CSKBRAFEGFR
SCHEMBL18403089 0.91 MAPK14 (0.52) MAP3K20MAPK14CSKBRAFEGFR
SCHEMBL18403165 0.90 MAPK14 (0.47) MAP3K20MAPK14CSKBRAFEGFR
SCHEMBL15860121 0.89 MAP3K20 (0.59) MAP3K20MAPK14BRAFEGFRABL1
SCHEMBL18403161 0.89 BRAF (0.46) MAP3K20MAPK14CSKBRAFEGFR
SCHEMBL18403131 0.86 MAPK14 (0.50) MAP3K20MAPK14CSKBRAFEGFR
SCHEMBL18403051 0.85 CSK (0.49) MAP3K20MAPK14CSKBRAFEGFR
SCHEMBL18403163 0.84 CSK (0.49) MAP3K20MAPK14CSKBRAFEGFR
SCHEMBL17324210 0.84 CSK (0.59) MAP3K20MAPK14CSKBRAFEGFR

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
US-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 — — US disclosed
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