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SCHEMBL13617843

SCHEMBL13617843

Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN(CC(F)(F)F)C(C)(C)CO)ns2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 18/20 1.00
▸ CHEK1 O14757 3/20 0.85
▸ IRAK4 Q9NWZ3 2/20 0.85
▸ RPS6KA3 P51812 2/20 0.85
▸ FLT3 P36888 2/20 0.84
▸ EPHB4 P54760 2/20 0.84
▸ LCK P06239 1/20 0.62

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
SCHEMBL12588199 0.93 AURKB (0.88) AURKBCHEK1IRAK4RPS6KA3FLT3
SCHEMBL13153153 0.92 CHEK1 (1.00) AURKBCHEK1IRAK4RPS6KA3FLT3
SCHEMBL13153248 0.90 CHEK1 (0.89) AURKBCHEK1IRAK4RPS6KA3FLT3
SCHEMBL12588180 0.86 CHEK1 (0.88) AURKBCHEK1IRAK4RPS6KA3FLT3
SCHEMBL13155484 0.85 CHEK1 (0.85) AURKBCHEK1IRAK4RPS6KA3FLT3
SCHEMBL13983735 0.85 CHEK1 (0.82) AURKBCHEK1IRAK4RPS6KA3FLT3
SCHEMBL12588184 0.84 CHEK1 (0.78) AURKBCHEK1IRAK4RPS6KA3FLT3
SCHEMBL13155431 0.84 AURKB (0.79) AURKBCHEK1IRAK4RPS6KA3FLT3
SCHEMBL13983635 0.84 AURKB (0.72) AURKBCHEK1IRAK4RPS6KA3FLT3
SCHEMBL13155483 0.84 CHEK1 (0.75) AURKBCHEK1IRAK4RPS6KA3FLT3

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
WO-2009137378-A2 SEQUENTIAL ADMINISTRATION OF CHEMOTHERAPEUTIC AGENTS FOR TREATMENT OF CANCER SCHERING CORPORATION (US) 2009-11-12 — — WO disclosed
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