SCHEMBL7628404

SCHEMBL7628404

Cc1cc(C)c(-c2nc3ccc(C(N)=O)cc3s2)c(C)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 3/20 0.65
APP P05067 3/20 0.57
DYRK1A Q13627 1/20 0.53
KDM4E B2RXH2 4/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
MITF O75030 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
RECQL P46063 1/20 0.51
GFER P55789 1/20 0.51

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
SCHEMBL7625995 0.90 ILK (0.66) ILKAPPDYRK1AKDM4ENPC1
SCHEMBL7628652 0.82 ILK (0.60) ILKAPPDYRK1AKDM4ENPC1
SCHEMBL687425 0.80 ILK (0.73) ILKAPPDYRK1AKDM4ENPC1
SCHEMBL2854505 0.80 KDM4E (0.68) APPKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8574737 0.78 DYRK1A (0.62) ILKAPPDYRK1AKDM4ENPC1
SCHEMBL29858067 0.78 KDM4E (0.61) ILKAPPDYRK1AKDM4ENPC1
SCHEMBL3113684 0.73 RAB9A (0.61) ILKDYRK1AKDM4ENPC1RAB9A
SCHEMBL28247185 0.73 DYRK1A (0.60) ILKAPPDYRK1AKDM4ENPC1
SCHEMBL30017067 0.73 DYRK1A (0.60) ILKAPPDYRK1AKDM4ENPC1
SCHEMBL14451013 0.73 KDM4E (0.54) ILKAPPKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037632-A4 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-08-21 EP disclosed
EP-1037632-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-09-27 EP disclosed
WO-1999024035-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-05-20 WO disclosed