SCHEMBL7628652

SCHEMBL7628652

Cc1cccc(Cl)c1-c1nc2ccc(C(N)=O)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ILK Q13418 3/20 0.60
APP P05067 1/20 0.50
LCK P06239 10/20 0.49
DYRK1A Q13627 1/20 0.49
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ABL1 P00519 1/20 0.46
KIT P10721 1/20 0.46
FYN P06241 1/20 0.45
SRC P12931 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL7625995 0.91 ILK (0.66) ILKAPPLCKDYRK1AKDM4E
SCHEMBL7628404 0.82 ILK (0.65) ILKAPPLCKDYRK1AKDM4E
SCHEMBL5130365 0.76 MAPT (0.55) ILKAPPKDM4ELMNASMN1; SMN2
SCHEMBL687425 0.76 ILK (0.73) ILKAPPDYRK1AKDM4ELMNA
SCHEMBL2055271 0.74 DYRK1A (0.58) ILKAPPDYRK1AKDM4ELMNA
SCHEMBL8574737 0.74 DYRK1A (0.62) ILKAPPDYRK1AKDM4ESMN1; SMN2
SCHEMBL2854505 0.73 KDM4E (0.68) APPKDM4ELMNANFKB1NFKB2
SCHEMBL29858067 0.71 KDM4E (0.61) ILKAPPDYRK1AKDM4ELMNA
SCHEMBL30563648 0.71 ILK (0.54) ILKAPPDYRK1AKDM4ELMNA
SCHEMBL6058064 0.70 LCK (0.71) LCKFYNSRCHSD17B10

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