SCHEMBL13845537

SCHEMBL13845537

CC1=NOC(C)C1Nc1nccn2c(-c3cnn(C)c3)cnc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.53
▸ AURKB Q96GD4 5/20 0.53
▸ TTK P33981 10/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ CHEK1 O14757 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33

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
SCHEMBL13954834 0.81 MAPKAPK5 (0.46) AURKAAURKBCHEK1
SCHEMBL8240135 0.80 AURKA (0.58) AURKAAURKBTTKFLT3
SCHEMBL8240563 0.78 AURKA (0.53) AURKAAURKBTTKFLT3
SCHEMBL8246210 0.77 AURKA (0.55) AURKAAURKBTTKFLT3
SCHEMBL8240570 0.77 AURKA (0.63) AURKAAURKBTTKFLT3CHEK1
SCHEMBL8241005 0.75 AURKA (0.64) AURKAAURKBTTKFLT3CHEK1
SCHEMBL13954585 0.74 AURKA (0.55) AURKAAURKBTTKFLT3CHEK1
SCHEMBL8240574 0.74 AURKA (0.59) AURKAAURKBTTKFLT3
SCHEMBL8239708 0.74 AURKA (0.62) AURKAAURKBTTKFLT3
SCHEMBL8239744 0.73 AURKA (0.64) AURKAAURKBTTKFLT3CHEK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009061781-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS SCHERING CORPORATION (US) 2009-05-14 — — WO disclosed
WO-2009017701-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2009-02-05 — — WO disclosed
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