SCHEMBL7217498

SCHEMBL7217498

CC(=O)Nc1ccc2nc[nH]c(=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.67
PARP1 P09874 8/20 0.56
IP6K1 Q92551 3/20 0.54
CHEK1 O14757 1/20 0.53
PIM1 P11309 1/20 0.53
AKT1 P31749 1/20 0.53
FLT3 P36888 1/20 0.53
PIM3 Q86V86 1/20 0.53
ROCK2 O75116 1/20 0.50
EGFR P00533 1/20 0.48
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
FGFR1 P11362 1/20 0.48
FLT1 P17948 1/20 0.48
KDR P35968 1/20 0.48
EPHB4 P54760 1/20 0.48
TEK Q02763 1/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48

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
SCHEMBL23721287 0.82 SLC2A1 (0.55) SLC2A1PARP1IP6K1CHEK1PIM1
SCHEMBL28102830 0.81 IP6K1 (0.60) SLC2A1PARP1IP6K1ROCK2MAPT
SCHEMBL11580425 0.80 QPCT (0.63) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL6886187 0.78 PARP1 (0.63) SLC2A1PARP1IP6K1CHEK1PIM1
SCHEMBL839649 0.77 KDM4E (0.54) ROCK2KDM4EMAPTMEN1NPC1
SCHEMBL28592270 0.77 SLC2A1 (0.49) SLC2A1PARP1IP6K1CHEK1PIM1
SCHEMBL30506353 0.77 SLC2A1 (0.49) SLC2A1PARP1IP6K1CHEK1PIM1
SCHEMBL25305113 0.77 SLC2A1 (0.49) SLC2A1PARP1IP6K1CHEK1PIM1
SCHEMBL7217495 0.77 KDM4E (0.52) CHEK1ROCK2KDM4EKMT2AALOX15
Hydrochloric Acid SCHEMBL2397058 0.76 KDM4E (0.53) ROCK2KDM4EMAPTMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596726-B1 Method of inhibiting epidermal growth factor by treating, with an effective inhibiting amount, a mammal, in need thereof inhibit the epidermal growth factor receptor and related receptors and, in particular, their tyrosine kinase enzyme WARNER LAMBERT COMPANY 2003-07-22 US disclosed
US-5679683-A USEFUL FOR TREATING CANCER, ARTHRITIS, PSORIASIS, VASCULAR RESTENOSIS AND ANGIOGENESIS WARNER-LAMBERT COMPANY (US) 1997-10-21 US disclosed
EP-0741711-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-13 EP disclosed
WO-1995019970-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 WO disclosed