SCHEMBL18403165

SCHEMBL18403165

COC(=O)c1cc2cc(CCc3cc(NC(=O)c4ccc(CN5CCC(C)C5)c(C(F)(F)F)c4)ccc3Cl)cnc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.47
▸ CSK P41240 4/20 0.47
▸ MAP3K20 Q9NYL2 5/20 0.45
▸ ABL1 P00519 12/20 0.45
▸ BCR P11274 6/20 0.43
▸ RET P07949 3/20 0.43
▸ EPHA2 P29317 3/20 0.42
▸ MAP3K7 O43318 2/20 0.42
▸ MAP4K2 Q12851 2/20 0.42
▸ LYN P07948 4/20 0.42
▸ EPHB2 P29323 2/20 0.42
▸ ABL2 P42684 2/20 0.42
▸ EPHB4 P54760 2/20 0.42
▸ SRC P12931 2/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ BRAF P15056 2/20 0.41
▸ DDR1 Q08345 2/20 0.41
▸ RIPK2 O43353 1/20 0.41
▸ LCK P06239 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
SCHEMBL18403089 0.93 MAPK14 (0.52) MAPK14CSKMAP3K20ABL1BCR
SCHEMBL15860032 0.93 CSK (0.54) MAPK14CSKMAP3K20ABL1BCR
SCHEMBL17313585 0.93 CSK (0.54) MAPK14CSKMAP3K20ABL1BCR
SCHEMBL18403164 0.90 MAP3K20 (0.54) MAPK14CSKMAP3K20ABL1BCR
SCHEMBL15860030 0.90 ABL1 (0.56) MAPK14MAP3K20ABL1BCRRET
SCHEMBL18403163 0.86 CSK (0.49) MAPK14CSKMAP3K20ABL1BCR
SCHEMBL18403131 0.86 MAPK14 (0.50) MAPK14CSKMAP3K20ABL1BCR
SCHEMBL17313594 0.86 CSK (0.59) MAPK14CSKMAP3K20ABL1BCR
SCHEMBL17324210 0.86 CSK (0.59) MAPK14CSKMAP3K20ABL1BCR
SCHEMBL18403161 0.86 BRAF (0.46) MAPK14CSKMAP3K20ABL1BCR

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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