SCHEMBL9252787

SCHEMBL9252787

C=CCn1c(-c2ccc(C(=N)N)cc2)nc2cc(C(=O)NCCC(=O)O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.49
JAK2 O60674 6/20 0.42
JAK1 P23458 6/20 0.42
TYK2 P29597 6/20 0.42
JAK3 P52333 6/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
F2 P00734 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9248851 0.90 PTGER4 (0.49) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255433 0.89 JAK2 (0.50) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9251359 0.89 JAK2 (0.45) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9256074 0.87 ITGB3 (0.54) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255982 0.87 JAK2 (0.52) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9252622 0.87 JAK2 (0.48) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9251388 0.87 JAK2 (0.48) PTGER4JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL9254502 0.86 ITGB3 (0.53) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9251467 0.85 JAK2 (0.49) JAK2JAK1TYK2JAK3MAPT
SCHEMBL9255552 0.85 RHEB (0.48) PTGER4JAK2JAK1TYK2JAK3

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