SCHEMBL9251963

SCHEMBL9251963

N=C(N)c1ccc(-c2nc3cc(C(=O)NCCC(=O)O)ccc3n2Cc2cccnc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
NAMPT P43490 6/20 0.45
F10 P00742 1/20 0.45
PRSS1 P07477 1/20 0.45
EGLN1 Q9GZT9 5/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PIK3CA P42336 1/20 0.42
PPARG P37231 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
PTAFR P25105 1/20 0.41

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
Bromide SCHEMBL9251333 0.99 ITGB3 (0.45) ITGB3ITGA2BNAMPTF10PRSS1
SCHEMBL9256074 0.91 ITGB3 (0.54) ITGB3ITGA2BF10EGLN1PPARG
SCHEMBL9251311 0.91 MEN1 (0.43) NAMPTF10PRSS1MEN1KMT2A
Hydrochloric Acid SCHEMBL9254502 0.91 ITGB3 (0.53) ITGB3ITGA2BF10EGLN1PPARG
SCHEMBL9255552 0.90 RHEB (0.48) ITGB3ITGA2BNAMPTEGLN1PPARG
SCHEMBL9251467 0.86 JAK2 (0.49) ITGB3ITGA2BPPARGJAK2JAK1
SCHEMBL9255544 0.85 F10 (0.46) NAMPTF10PRSS1EGLN1MEN1
SCHEMBL9251359 0.84 JAK2 (0.45) ITGB3ITGA2BF10JAK2JAK1
SCHEMBL9255433 0.84 JAK2 (0.50) ITGB3ITGA2BJAK2JAK1TYK2
SCHEMBL9253344 0.83 JAK2 (0.52) ITGB3ITGA2BF10JAK2JAK1

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-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US claimed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP claimed
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed