SCHEMBL27718232

SCHEMBL27718232

O=C(c1cccc(C(F)(F)F)c1Cl)N1CCN(Cc2cncc(Nc3cc[nH]n3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
P2RX7 Q99572 18/20 0.45

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
Trifluoroacetic Acid SCHEMBL3535261 0.97 AURKA (0.49) AURKAP2RX7
SCHEMBL3475612 0.91 AURKA (0.60) AURKAP2RX7
SCHEMBL27697792 0.91 AURKA (0.62) AURKAP2RX7
Hydrochloric Acid SCHEMBL3530557 0.90 AURKA (0.59) AURKAP2RX7
SCHEMBL3526633 0.89 AURKA (0.44) AURKAP2RX7
SCHEMBL3531867 0.88 AURKA (0.57) AURKAP2RX7
Trifluoroacetic Acid SCHEMBL3527263 0.88 AURKA (0.59) AURKAP2RX7
SCHEMBL3527226 0.86 AURKA (0.47) AURKA
SCHEMBL3527786 0.83 AURKA (0.51) AURKAP2RX7
SCHEMBL27718209 0.82 AURKA (0.46) AURKA

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-101103017-A Novel aminopyridine derivatives having Aurora-A selective inhibitory action BANYU PHARMA CO LTD (JP) 2008-01-09 CN disclosed