SCHEMBL4649889

SCHEMBL4649889

C=CS(=O)(=O)CCNC(=O)c1cccc(Nc2n[c]nc(F)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
SRC P12931 5/20 0.41
ABL1 P00519 2/20 0.39
EGFR P00533 1/20 0.39
BCR P11274 1/20 0.39
TBK1 Q9UHD2 2/20 0.36
PTK2 Q05397 4/20 0.36
SCN9A Q15858 2/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
BRAF P15056 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RHOA P61586 1/20 0.35

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
SCHEMBL4649928 0.89 SRC (0.39) CCNT1CCNE1CDK2CDK9SRC
SCHEMBL14087140 0.77 SRC (0.43) CCNT1CCNE1CDK2CDK9SRC
SCHEMBL4650685 0.74 CDK2 (0.37) CCNT1CCNE1CDK2CDK9SRC
SCHEMBL4650680 0.73 SNCA (0.43) CCNT1CCNE1CDK2CDK9SRC
SCHEMBL1373453 0.71 SMN1; SMN2 (0.46) LMNAHDAC6
SCHEMBL1373455 0.71 SMN1; SMN2 (0.46) KDM4E
SCHEMBL8657171 0.69
SCHEMBL4649895 0.66 CA1 (0.47) CCNT1CCNE1CDK2CDK9LMNA
SCHEMBL4651536 0.66 TNNI3K (0.42) CCNT1CCNE1CDK2CDK9SRC
SCHEMBL7718746 0.65 SNCA (0.55) KDM4ELMNAGAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397438-B1 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND THE USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO (DE) 2008-09-10 EP disclosed
EP-1397439-B1 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO (DE) 2005-11-16 EP disclosed
US-6962611-B2 Dye mixtures of fiber-reactive azodyes and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-11-08 US disclosed
US-6946006-B2 Black dye mixtures of fiber-reactive AZO dyes and use thereof for dyeing material containing hydroxy- and/or carboxamido groups DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-09-20 US disclosed
US-20040139567-A1 Dye mixtures of fiber-reactive azodyes and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2004-07-22 US disclosed
EP-1397437-A2 BLACK DYE MIXTURES OF FIBER-REACTIVE AZO DYES AND USE THEREOF FOR DYEING MATERIAL CONTAINING HYDROXY-AND/OR CARBOXAMIDO GROUPS DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2004-03-17 EP disclosed
EP-1397438-A1 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND THE USE THEREOF DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2004-03-17 EP disclosed
US-20030140432-A1 Black dye mixtures of fiber-reactive AZO dyes and use thereof for dyeing material containing hydroxy- and/or carboxamido groups DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2003-07-31 US disclosed
WO-2002098989-A1 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND THE USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-12-12 WO disclosed
WO-2002098988-A2 BLACK DYE MIXTURES OF FIBER-REACTIVE AZO DYES AND USE THEREOF FOR DYEING MATERIAL CONTAINING HYDROXY-AND/OR CARBOXAMIDO GROUPS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-12-12 WO disclosed