SCHEMBL28307851

SCHEMBL28307851

CC(C)(C)OC(=O)NC1CCCN(c2cc(N)ccc2F)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.52
▸ F10 P00742 1/20 0.49
▸ AURKA O14965 3/20 0.48
▸ PDPK1 O15530 3/20 0.48
▸ AURKB Q96GD4 3/20 0.48
▸ BTK Q06187 5/20 0.47
▸ JAK3 P52333 3/20 0.46
▸ ALOX5AP P20292 1/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ PIM3 Q86V86 1/20 0.46
▸ PIM2 Q9P1W9 1/20 0.46
▸ LCK P06239 2/20 0.44
▸ EGFR P00533 1/20 0.44
▸ CTSK P43235 2/20 0.44
▸ KDM4D Q6B0I6 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ SYK P43405 1/20 0.43

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
SCHEMBL19926359 1.00 MAP4K4 (0.52) MAP4K4F10AURKAPDPK1AURKB
SCHEMBL27487705 0.95 PIM1 (0.50) MAP4K4F10BTKPIM1PIM3
SCHEMBL27489405 0.95 PIM1 (0.50) MAP4K4F10BTKPIM1PIM3
SCHEMBL5230710 0.86 PIM1 (0.50) MAP4K4F10BTKPIM1PIM3
SCHEMBL5833254 0.86 PIM1 (0.50) MAP4K4F10BTKPIM1PIM3
SCHEMBL5232485 0.86 PIM1 (0.50) MAP4K4F10BTKPIM1PIM3
SCHEMBL28566874 0.83 HTT (0.54) MAP4K4F10AURKAPDPK1AURKB
SCHEMBL22608005 0.83 MAP4K4 (0.48) MAP4K4F10AURKAPDPK1AURKB
SCHEMBL19926339 0.83 MAP4K4 (0.48) MAP4K4F10AURKAPDPK1AURKB
SCHEMBL20354373 0.82 MAP4K4 (0.57) MAP4K4F10AURKAPDPK1AURKB

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
CN-109923107-A The method for being used to prepare indole carboxamides compound 百时美施贵宝公司 2019-06-21 — — CN disclosed
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