SCHEMBL4720946

SCHEMBL4720946

Oc1ccc2nc(-c3cccc4c3-c3ccccc3C4)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.50
ITK Q08881 1/20 0.47
AMY1A P0DUB6 2/20 0.47
CHEK1 O14757 1/20 0.45
PRKD3 O94806 1/20 0.45
PAK4 O96013 1/20 0.45
PDGFRA P16234 1/20 0.45
LTK P29376 1/20 0.45
MAP2K2 P36507 1/20 0.45
MAPK8 P45983 1/20 0.45
CDK8 P49336 1/20 0.45
RPS6KA3 P51812 1/20 0.45
PRKX P51817 1/20 0.45
NEK2 P51955 1/20 0.45
LIMK1 P53667 1/20 0.45
CDK5 Q00535 1/20 0.45
PRKCQ Q04759 1/20 0.45
MAP4K2 Q12851 1/20 0.45
ROCK1 Q13464 1/20 0.45
LRRK2 Q5S007 1/20 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
SCHEMBL4760730 0.85 AMY1A (0.53) CBFBAMY1AAURKAKDRPLAU
SCHEMBL2308847 0.84 RAB9A (0.54) AMY1AKDRGAAKDM4ENPC1
SCHEMBL2309659 0.78 PDE5A (0.55) AURKAKDRKDM4ENPC1ALDH1A1
SCHEMBL2312674 0.78 CBFB (0.51) CBFBITKAMY1ACHEK1PRKD3
SCHEMBL4761477 0.78 FGFR1 (0.57) ITKCHEK1PRKD3PAK4PDGFRA
SCHEMBL2317808 0.77 CBFB (0.50) CBFBITKAMY1ACHEK1PRKD3
SCHEMBL2317804 0.77 CBFB (0.50) CBFBITKAMY1ACHEK1PRKD3
SCHEMBL12431145 0.75 PDE5A (0.43) AURKAKDRGAAKDM4ENPC1
SCHEMBL2314048 0.71 CDK1 (0.42) CDK5AURKAKDRGAAKDM4E
SCHEMBL4495899 0.70 AMY1A (0.53) CBFBITKAMY1AKDRPLAU

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888579-A2 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF Aventis Pharma S.A. (FR) 2008-02-20 EP disclosed
WO-2006123061-A2 FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-11-23 WO disclosed