SCHEMBL24565779

SCHEMBL24565779

Cn1cc(C(F)(F)C(F)(F)F)cc(N)c1=O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
TTK P33981 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
BRD4 O60885 10/20 0.35

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
SCHEMBL15574103 0.85 AURKA (0.45) AURKATTKAURKBINCENPBRD4
SCHEMBL4049112 0.79 AURKA (0.46) AURKATTKAURKBINCENPBRD4
SCHEMBL24566178 0.71
SCHEMBL16794683 0.71 AURKA (0.49) AURKATTKAURKBINCENPBRD4
SCHEMBL28223511 0.70 AURKA (0.52) AURKATTKAURKBINCENPBRD4
SCHEMBL15006071 0.69 AURKA (0.50) AURKATTKAURKBINCENPBRD4
SCHEMBL14993737 0.67 AURKA (0.49) AURKATTKAURKBINCENPBRD4
SCHEMBL106685 0.67 AURKA (0.49) AURKATTKAURKBINCENPBRD4
SCHEMBL13456010 0.67 AURKA (0.49) AURKATTKAURKBINCENPBRD4
SCHEMBL22927054 0.66 PTPN5 (0.35)

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-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed