SCHEMBL3467503

SCHEMBL3467503

COC(=O)c1ccc(CC2Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3NC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
CRBN Q96SW2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKT1 P31749 3/20 0.39
CDK2 P24941 2/20 0.39
CDK1 P06493 1/20 0.39
KIT P10721 1/20 0.39
KDR P35968 1/20 0.39
FFAR1 O14842 1/20 0.39
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
IDH1 O75874 1/20 0.37
CHKA P35790 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
RORC P51449 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL3468115 0.88 KIF11 (0.47) KIF11AKT1CDK2CDK1KIT
SCHEMBL3467348 0.81 KIF11 (0.41) KIF11FFAR1MAPT
SCHEMBL4891219 0.78 KIF11 (0.56) KIF11AKT1CDK2CDK1KIT
SCHEMBL3468263 0.78 KIF11 (0.53) KIF11AKT1CDK2CDK1KIT
SCHEMBL3308412 0.78 KIF11 (0.53) KIF11AKT1CDK2CDK1KIT
SCHEMBL3467771 0.77 KIF11 (0.48) KIF11CRBNAKT1CDK2CDK1
SCHEMBL3467592 0.77 KIF11 (0.52) KIF11AKT1CDK2CDK1KIT
SCHEMBL3467252 0.73 KIF11 (0.53) KIF11AKT1CDK2CDK1KIT
SCHEMBL4596144 0.72 KIF11 (0.60) KIF11AKT1CDK2CDK1KIT
SCHEMBL4596470 0.72 KIF11 (0.49) KIF11CRHBPCRHR2MAPTKDM4E

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