SCHEMBL16208486

SCHEMBL16208486

O=C1CCc2cc(Nc3cc(C(F)(F)F)ccn3)ccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 1.00
ULK1 O75385 5/20 0.55
TNIK Q9UKE5 1/20 0.53
PKM P14618 1/20 0.49
PKLR P30613 1/20 0.49

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
SCHEMBL16208449 0.93 KIF11 (1.00) KIF11ULK1TNIK
SCHEMBL16208488 0.82 KIF11 (1.00) KIF11ULK1PKMPKLR
SCHEMBL16208463 0.81 KIF11 (1.00) KIF11ULK1PKMPKLR
SCHEMBL16208485 0.80 KIF11 (0.85) KIF11ULK1PKMPKLR
SCHEMBL26088240 0.79 KIF11 (0.65) KIF11ULK1TNIK
SCHEMBL16208470 0.78 ULK1 (0.66) KIF11ULK1
SCHEMBL2238253 0.78 KIF11 (0.77) KIF11PKMPKLR
SCHEMBL16208464 0.78 KIF11 (0.75) KIF11ULK1PKMPKLR
SCHEMBL16208446 0.77 KIF11 (0.64) KIF11ULK1TNIK
SCHEMBL16208482 0.76 KIF11 (0.61) KIF11ULK1TNIK

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-2014174745-A1 Eg5 INHIBITOR 国立大学法人京都大学 (JP) 2014-10-30 WO disclosed