SCHEMBL9251467

SCHEMBL9251467

Cc1ccc(Cn2c(-c3ccc(C(=N)N)cc3)nc3cc(C(=O)NCCC(=O)O)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
F2 P00734 2/20 0.46
MAPT P10636 1/20 0.45
PPARG P37231 2/20 0.45
TP53 P04637 3/20 0.43
RORC P51449 1/20 0.43
LMNA P02545 2/20 0.43
GCGR P47871 1/20 0.42
DRD2 P14416 1/20 0.42
TBXA2R P21731 1/20 0.42

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
SCHEMBL9256074 0.93 ITGB3 (0.54) JAK2JAK1TYK2JAK3ITGB3
Hydrochloric Acid SCHEMBL9254502 0.92 ITGB3 (0.53) JAK2JAK1TYK2JAK3ITGB3
SCHEMBL9247562 0.91 JAK2 (0.48) JAK2JAK1TYK2JAK3MAPT
SCHEMBL9255552 0.91 RHEB (0.48) JAK2JAK1TYK2JAK3ITGB3
SCHEMBL9255433 0.87 JAK2 (0.50) JAK2JAK1TYK2JAK3ITGB3
SCHEMBL9251359 0.87 JAK2 (0.45) JAK2JAK1TYK2JAK3ITGB3
SCHEMBL9251963 0.86 ITGB3 (0.46) JAK2JAK1TYK2JAK3ITGB3
Bromide SCHEMBL9251333 0.85 ITGB3 (0.45) JAK2JAK1TYK2JAK3ITGB3
SCHEMBL9252787 0.85 PTGER4 (0.49) JAK2JAK1TYK2JAK3ITGB3
Hydrochloric Acid SCHEMBL9253317 0.85 PTGER4 (0.47) JAK2JAK1TYK2JAK3ITGB3

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 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