SCHEMBL9256074

SCHEMBL9256074

N=C(N)c1ccc(-c2nc3cc(C(=O)NCCC(=O)O)ccc3n2Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
PPARG P37231 2/20 0.48
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
RORC P51449 1/20 0.47
EGLN1 Q9GZT9 5/20 0.45
KLKB1 P03952 2/20 0.45
PTGER4 P35408 1/20 0.44
DRD2 P14416 1/20 0.43
TBXA2R P21731 1/20 0.43
F10 P00742 2/20 0.43
PDE6D O43924 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALDH2 P05091 1/20 0.43
ALDH3A1 P30838 1/20 0.43
BRPF1 P55201 1/20 0.43

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
Hydrochloric Acid SCHEMBL9254502 0.99 ITGB3 (0.53) ITGB3ITGA2BPPARGJAK2JAK1
SCHEMBL9255552 0.93 RHEB (0.48) ITGB3ITGA2BPPARGJAK2JAK1
SCHEMBL9251467 0.93 JAK2 (0.49) ITGB3ITGA2BPPARGJAK2JAK1
SCHEMBL9251963 0.91 ITGB3 (0.46) ITGB3ITGA2BPPARGJAK2JAK1
Bromide SCHEMBL9251333 0.91 ITGB3 (0.45) ITGB3ITGA2BPPARGJAK2JAK1
Hydrochloric Acid SCHEMBL9253317 0.90 PTGER4 (0.47) ITGB3ITGA2BPPARGJAK2JAK1
SCHEMBL9253344 0.89 JAK2 (0.52) ITGB3ITGA2BJAK2JAK1TYK2
SCHEMBL9249301 0.89 PTGER4 (0.47) ITGB3ITGA2BJAK2JAK1TYK2
SCHEMBL9251618 0.89 JAK2 (0.51) ITGB3ITGA2BJAK2JAK1TYK2
SCHEMBL9255433 0.89 JAK2 (0.50) ITGB3ITGA2BJAK2JAK1TYK2

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
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