SCHEMBL7555382

SCHEMBL7555382

Cc1ccnc2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.40
JAK3 P52333 9/20 0.40
JAK1 P23458 8/20 0.40
TYK2 P29597 2/20 0.38
DRD1 P21728 2/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
EEF2K O00418 1/20 0.36
LMNA P02545 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAPK1 P28482 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PDE3A Q14432 1/20 0.36
BRD4 O60885 2/20 0.36
ATAD2 Q6PL18 2/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL1383138 0.74 PARP1 (0.40) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL16787434 0.70 DAO (0.57) JAK2JAK3JAK1DRD2
SCHEMBL16819110 0.68 JAK2 (0.41) JAK2JAK3JAK1DRD2
SCHEMBL28511270 0.67 JAK2 (0.42) JAK2JAK3ALDH1A1BRD4ATAD2
SCHEMBL6690208 0.67 JAK2 (0.44) JAK2JAK3JAK1TYK2DRD1
SCHEMBL15552906 0.66 JAK2 (0.48) JAK2JAK3JAK1PIK3CAMTOR
SCHEMBL1380290 0.66 EEF2K (0.39) JAK2JAK3JAK1TYK2ALDH1A1
Hydrochloric Acid SCHEMBL7559739 0.65 TNKS (0.38) JAK2JAK3JAK1TYK2DRD1
SCHEMBL9842532 0.65 CYP3A4 (0.62) JAK2JAK3JAK1ALDH1A1POLB
SCHEMBL3632106 0.63 DAO (0.51) JAK2JAK3BRD4PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO disclosed