SCHEMBL18403089

SCHEMBL18403089

COC(=O)c1cc2cc(CCc3cc(NC(=O)c4ccc(CN5CCC(C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.52
▸ CSK P41240 4/20 0.52
▸ MAP3K20 Q9NYL2 4/20 0.50
▸ MAP4K2 Q12851 4/20 0.50
▸ EPHA2 P29317 3/20 0.50
▸ MAP3K7 O43318 2/20 0.50
▸ ABL1 P00519 11/20 0.47
▸ BCR P11274 6/20 0.47
▸ LYN P07948 5/20 0.47
▸ BRAF P15056 4/20 0.47
▸ LCK P06239 2/20 0.47
▸ FYN P06241 2/20 0.47
▸ FRK P42685 2/20 0.47
▸ DDR1 Q08345 2/20 0.47
▸ EPHB2 P29323 2/20 0.47
▸ ABL2 P42684 2/20 0.47
▸ EPHB4 P54760 2/20 0.47
▸ RIPK2 O43353 1/20 0.47
▸ RET P07949 1/20 0.47
▸ PDGFRB P09619 1/20 0.47

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
SCHEMBL18403163 0.94 CSK (0.49) MAPK14CSKMAP3K20MAP4K2EPHA2
SCHEMBL18403165 0.93 MAPK14 (0.47) MAPK14CSKMAP3K20MAP4K2EPHA2
SCHEMBL17324210 0.93 CSK (0.59) MAPK14CSKMAP3K20MAP4K2EPHA2
SCHEMBL17313594 0.93 CSK (0.59) MAPK14CSKMAP3K20MAP4K2EPHA2
SCHEMBL18403164 0.91 MAP3K20 (0.54) MAPK14CSKMAP3K20MAP4K2EPHA2
SCHEMBL18403131 0.90 MAPK14 (0.50) MAPK14CSKMAP3K20MAP4K2EPHA2
SCHEMBL18403161 0.90 BRAF (0.46) MAPK14CSKMAP3K20EPHA2ABL1
SCHEMBL15860000 0.90 BRAF (0.58) MAPK14CSKMAP3K20MAP4K2EPHA2
SCHEMBL17324205 0.90 MAP3K20 (0.54) MAPK14CSKMAP3K20MAP4K2EPHA2
SCHEMBL18403051 0.89 CSK (0.49) MAPK14CSKMAP3K20MAP4K2EPHA2

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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