SCHEMBL18403131

SCHEMBL18403131

COC(=O)c1cc2cc(COc3cc(NC(=O)c4ccc(CN5CCC(C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 7/20 0.50
▸ CSK P41240 4/20 0.50
▸ MAP3K7 O43318 4/20 0.50
▸ MAP4K2 Q12851 4/20 0.50
▸ DDR1 Q08345 3/20 0.49
▸ ABL1 P00519 13/20 0.48
▸ KIT P10721 5/20 0.48
▸ LCK P06239 2/20 0.48
▸ PDGFRB P09619 2/20 0.48
▸ DDR2 Q16832 2/20 0.48
▸ CSF1R P07333 1/20 0.48
▸ BLK P51451 1/20 0.48
▸ BCR P11274 5/20 0.46
▸ BRAF P15056 2/20 0.46
▸ EGFR P00533 1/20 0.46
▸ LYN P07948 4/20 0.45
▸ MAP3K20 Q9NYL2 3/20 0.45
▸ EPHA2 P29317 2/20 0.45
▸ EPHB2 P29323 2/20 0.45
▸ ABL2 P42684 2/20 0.45

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
SCHEMBL17324137 0.93 CSK (0.57) MAPK14CSKMAP3K7MAP4K2DDR1
SCHEMBL17313578 0.93 CSK (0.57) MAPK14CSKMAP3K7MAP4K2DDR1
SCHEMBL18403089 0.90 MAPK14 (0.52) MAPK14CSKMAP3K7MAP4K2DDR1
SCHEMBL15860134 0.90 EGFR (0.57) MAPK14CSKMAP3K7MAP4K2DDR1
SCHEMBL18403051 0.89 CSK (0.49) MAPK14CSKMAP3K7MAP4K2DDR1
SCHEMBL18403164 0.86 MAP3K20 (0.54) MAPK14CSKMAP3K7MAP4K2DDR1
SCHEMBL18403165 0.86 MAPK14 (0.47) MAPK14CSKMAP3K7MAP4K2DDR1
SCHEMBL18403161 0.86 BRAF (0.46) MAPK14CSKDDR1ABL1KIT
SCHEMBL18403163 0.84 CSK (0.49) MAPK14CSKMAP3K7MAP4K2DDR1
SCHEMBL17313594 0.83 CSK (0.59) MAPK14CSKMAP3K7MAP4K2DDR1

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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