SCHEMBL7215930

SCHEMBL7215930

Nc1ccc2[nH]c(=O)ncc2c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
BLM P54132 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
RPS6KA3 P51812 1/20 0.35
CSNK2A1 P68400 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA2 P47869 1/20 0.33

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
SCHEMBL31184823 0.86 ALDH1A1 (0.39) LMNAMAPTHTTMAPKAPK2RPS6KA3
SCHEMBL15875625 0.78 TDP1 (0.46) LMNAHTTAURKAPARP1ALDH1A1
SCHEMBL30095711 0.70 DAO (0.49) KMT2ALMNAMAPTHTTPARP1
SCHEMBL8623931 0.70 DAO (0.49) KMT2ALMNAMAPTHTTPARP1
SCHEMBL7221753 0.70 MAPT (0.33) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL29162197 0.70 DAO (0.39) MEN1KMT2AHTTPARP1ALDH1A1
SCHEMBL1287813 0.69 KDM4E (0.46) MEN1KMT2ALMNAMAPTHTT
SCHEMBL12439133 0.68 IDO1 (0.46) MEN1KMT2ALMNAHSP90AA1HSP90AB1
SCHEMBL30424493 0.68 KDM4E (0.35) MEN1KMT2ALMNARPS6KA3GABRA1
SCHEMBL31184602 0.68 LMNA (0.37) LMNAMAPTPARP1ALDH1A1HPGD

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