SCHEMBL3467162

SCHEMBL3467162

O=C1[C]Cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.65
TDP2 O95551 2/20 0.52
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CDK2 P24941 2/20 0.38
AKT1 P31749 2/20 0.38
GAA P10253 1/20 0.38
CDK1 P06493 1/20 0.38
KIT P10721 1/20 0.38
KDR P35968 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PGR P06401 1/20 0.38
NOTUM Q6P988 1/20 0.37
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL3467329 0.83 KIF11 (0.46) KIF11PDE3BPDE3AHRH3NOTUM
SCHEMBL3466639 0.82 NOTUM (0.45) KIF11TDP2PDE3BPDE3AKDR
SCHEMBL1903306 0.80 KIF11 (0.80) KIF11TDP2PDE3BPDE3ACDK2
SCHEMBL1396616 0.79 KIF11 (1.00) KIF11TDP2PDE3BPDE3AAKT1
SCHEMBL3466905 0.78 OTUD7B (0.52) KIF11HRH3CYP11B1CYP11B2
SCHEMBL4596437 0.77 KIF11 (0.65) KIF11TDP2PDE3BPDE3ACHRNB2
SCHEMBL4888861 0.75 KIF11 (0.86) KIF11TDP2PDE3BPDE3AAKT1
SCHEMBL4596312 0.75 KIF11 (0.63) KIF11TDP2PDE3BPDE3ACHRNB2
SCHEMBL4888035 0.75 KIF11 (0.86) KIF11TDP2PDE3BPDE3AAKT1
SCHEMBL4898372 0.75 KIF11 (0.72) KIF11TDP2PDE3BPDE3ACHRNB2

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-2010074807-A1 3, 4-DIHYDROQUINOLIN-2 ( 1H ) -ONE DERIVATIVES AS SODIUM CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-07-01 WO disclosed