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SCHEMBL13617863

SCHEMBL13617863

Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CC[C@@H](F)C3)ns2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 20/20 1.00
▸ CHEK1 O14757 2/20 0.78
▸ LCK P06239 2/20 0.78
▸ KDR P35968 2/20 0.78
▸ IRAK4 Q9NWZ3 2/20 0.78
▸ RPS6KA3 P51812 1/20 0.78
▸ PTK6 Q13882 1/20 0.78
▸ FLT3 P36888 1/20 0.73
▸ EPHB4 P54760 1/20 0.73

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
SCHEMBL13617862 0.95 AURKB (1.00) AURKBCHEK1LCKKDRIRAK4
SCHEMBL13983609 0.94 AURKB (1.00) AURKBCHEK1LCKKDRIRAK4
SCHEMBL12588204 0.92 AURKB (0.85) AURKBCHEK1LCKKDRIRAK4
SCHEMBL12588203 0.92 AURKB (0.85) AURKBCHEK1LCKKDRIRAK4
SCHEMBL12588169 0.91 AURKB (0.88) AURKBCHEK1LCKKDRIRAK4
SCHEMBL13155454 0.90 AURKB (0.82) AURKBCHEK1LCKKDRIRAK4
SCHEMBL12588168 0.89 AURKB (0.84) AURKBCHEK1LCKKDRIRAK4
SCHEMBL12646040 0.89 AURKB (1.00) AURKBCHEK1LCKKDRIRAK4
SCHEMBL13154966 0.89 AURKB (0.85) AURKBCHEK1LCKKDRIRAK4
SCHEMBL13155440 0.89 AURKB (1.00) AURKBCHEK1LCKKDRIRAK4

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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